Benzo[d]thiazole

Modify Date: 2026-06-30 18:14:48

Benzo[d]thiazole Structure
Benzo[d]thiazole structure
 Common Name Benzo[d]thiazole
CAS Number 95-16-9 Molecular Weight 135.186
Density 1.3±0.1 g/cm3 Boiling Point 227.0±9.0 °C at 760 mmHg
Molecular Formula C7H5NS Melting Point 2 °C(lit.)
MSDS Chinese USA Flash Point 96.6±7.6 °C
Symbol GHS06
GHS06		 Signal Word Danger

 Use of Benzo[d]thiazole


Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antiviral, antileishmanial, and antiviral[1].

Summary: Benzothiazole (C7H5NS, MW 135.186), also known as Benzo[d]thiazole, is a yellow liquid with an unpleasant odor. Melting point: 2°C, Boiling point: 227.0±9.0°C, Density: 1.3±0.1 g/cm3. CAS number: 95-16-9. Used in photographic materials, organic synthesis, and agricultural plant resource research, and specified in GB 2760—1996 as an allowable food flavoring. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name benzothiazole
Synonym More Synonyms

 Benzo[d]thiazole Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antiviral, antileishmanial, and antiviral[1].
Related Catalog
References

[1]. Ruhi Ali, et al. Biological Aspects of Emerging Benzothiazoles: A Short Review, Journal of Chemistry, vol. 2013, Article ID 345198, 12 pages, 2013.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.3±0.1 g/cm3
Boiling Point 227.0±9.0 °C at 760 mmHg
Melting Point 2 °C(lit.)
Molecular Formula C7H5NS
Molecular Weight 135.186
Flash Point 96.6±7.6 °C
Exact Mass 135.014267
PSA 41.13000
LogP 2.01
Vapour density 4.66 (vs air)
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.689
InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N
SMILES c1ccc2scnc2c1
Stability Stable - regarded as highly persistent in the environment. Incompatible with strong oxidizing agents. Combustion products: nitrogen oxides, carbon monoxide, carbon dioxide, sulphur oxides.
Water Solubility slightly soluble

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL0875000
CHEMICAL NAME :
Benzothiazole
CAS REGISTRY NUMBER :
95-16-9
BEILSTEIN REFERENCE NO. :
0109468
LAST UPDATED :
199806
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C7-H5-N-S
MOLECULAR WEIGHT :
135.19
WISWESSER LINE NOTATION :
T56 BN DSJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534825
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534825 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
380 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Lungs, Thorax, or Respiration - pulmonary emboli Liver - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534825
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1400 mg/m3/6H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-1190-0987S
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 45,189,1932
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - irritability Vascular - regional or general arteriolar or venous dilation
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 45,189,1932
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
95 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 105,486,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
310 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 9(12),11,1975
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Vascular - regional or general arteriolar or venous dilation
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 45,189,1932
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Lungs, Thorax, or Respiration - pulmonary emboli Liver - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534825 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84003 No. of Facilities: 5 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 69 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301 + H311-H319-H332
Precautionary Statements P280-P301 + P310-P305 + P351 + P338-P312
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S23-S26-S36-S36/37
RIDADR 2810
WGK Germany 2
RTECS DL0875000
Packaging Group III
Hazard Class 6.1
HS Code 2934200090

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles38

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Benzothiazole, benzotriazole, and their derivates in clothing textiles--a potential source of environmental pollutants and human exposure.

Environ. Sci. Pollut. Res. Int. 22(8) , 5842-9, (2015)

Textiles play an important role in our daily life, and textile production is one of the oldest industries. In the manufacturing chain from natural and/or synthetic fibers to the final clothing product...

Synthesis and anti-angiogenic activity of benzothiazole, benzimidazole containing phthalimide derivatives.

Bioorg. Med. Chem. Lett. 23(1) , 287-90, (2013)

Benzothiazole and benzimidazole containing phthalimide derivatives (NK037, NK041, NK042, NK0139A and NK0148) have been synthesized and their anti-angiogenic activity was evaluated using ex vivo egg yo...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1,3-Benzothiazole
benzothiazol
Benzothiazole
(methylthio)benzothiazole
USAF EK-4812
Vangard BT
Benzosulfonazole
benzo[d][1,3]thiazole
1-Thia-3-azaindene
benzthiazole
MFCD00005775
EINECS 202-396-2
BENZO[D]THIAZOLE

 Benzo[d]thiazole | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the melting point of benzothiazole?
A: Melting point of benzothiazole is 2 °C(lit.).
Q: What is the CAS number of benzothiazole?
A: CAS number of benzothiazole is 95-16-9.
Q: What is the LogP of benzothiazole?
A: LogP of benzothiazole is 2.01.
Q: What is the safety information for benzothiazole?
A: Safety information for benzothiazole: S23-S26-S36-S36/37.
Q: What are the uses of benzothiazole?
A: Main uses of benzothiazole: Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antiviral, antileishmanial, and antiviral[1].
Q: What is the polar surface area (PSA) of benzothiazole?
A: Polar surface area (PSA) of benzothiazole is 41.13000.
Q: What is the SMILES notation of benzothiazole?
A: SMILES notation of benzothiazole is c1ccc2scnc2c1.
Q: What is the InChIKey of benzothiazole?
A: InChIKey of benzothiazole is IOJUPLGTWVMSFF-UHFFFAOYSA-N.
Q: What is the boiling point of benzothiazole?
A: Boiling point of benzothiazole is 227.0±9.0 °C at 760 mmHg.
Q: What are the upstream materials of benzothiazole?
A: Related upstream materials(CAS) of benzothiazole: 137-07-5;4819-77-6;50-00-0;615-22-5;136-95-8;122-51-0;113372-40-0.

 Benzo[d]thiazolefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Henan Tianfu Chemical Co., Ltd.
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