2-(Thiocyanatomethylthio)benzothiazole

Modify Date: 2025-08-22 21:59:23

2-(Thiocyanatomethylthio)benzothiazole Structure
2-(Thiocyanatomethylthio)benzothiazole structure
 Common Name 2-(Thiocyanatomethylthio)benzothiazole
CAS Number 21564-17-0 Molecular Weight 238.352
Density 1.5±0.1 g/cm3 Boiling Point 405.6±47.0 °C at 760 mmHg
Molecular Formula C9H6N2S3 Melting Point N/A
MSDS N/A Flash Point 199.1±29.3 °C

 Use of 2-(Thiocyanatomethylthio)benzothiazole


An antimicrobial agent used as a substitute for chlorophenols

 Names

Name benthiazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 405.6±47.0 °C at 760 mmHg
Molecular Formula C9H6N2S3
Molecular Weight 238.352
Flash Point 199.1±29.3 °C
Exact Mass 237.969315
PSA 115.52000
LogP 3.12
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.743

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK8151500
CHEMICAL NAME :
Thiocyanic acid, 2-(benzothiazolylthio)methyl ester, 80%
CAS REGISTRY NUMBER :
21564-17-0
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H6-N2-S3
MOLECULAR WEIGHT :
238.35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2538 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BUCKL* Buckman Laboratories, Inc. (1256 N. McLean, Memphis, TN 38108) Volume(issue)/page/year: 14FEB1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BUCKL* Buckman Laboratories, Inc. (1256 N. McLean, Memphis, TN 38108) Volume(issue)/page/year: 14FEB1980 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9401 No. of Facilities: 429 (estimated) No. of Industries: 13 No. of Occupations: 23 No. of Employees: 27975 (estimated) No. of Female Employees: 11764 (estimated)

 Safety Information

Hazard Codes T+: Very toxic;N: Dangerous for the environment;Xn: Harmful;
Risk Phrases R22
Safety Phrases S28-S36/37-S38-S45-S60-S61-S36-S26
RTECS XK8150900

 Synthetic Route

2-(chloromethylsulfanyl)-1,3-benzothiazole structure

2-(chloromethyl...

CAS#:28908-00-1

ammonium;thiocyanate structure

ammonium;thiocyanate

CAS#:1147550-11-5

~78%

2-(Thiocyanatomethylthio)benzothiazole Structure

2-(Thiocyanatom...

CAS#:21564-17-0

Literature: Ramadas; Janarthanan Synthetic Communications, 1999 , vol. 29, # 6 p. 1003 - 1007
2-(chloromethylsulfanyl)-1,3-benzothiazole structure

2-(chloromethyl...

CAS#:28908-00-1

Sodium thiocyanate structure

Sodium thiocyanate

CAS#:540-72-7

~80%

2-(Thiocyanatomethylthio)benzothiazole Structure

2-(Thiocyanatom...

CAS#:21564-17-0

Literature: Muthusubramanian, Lakshmi; Mitra, Rajat B.; Sundara Rao; Raghavan Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996 , vol. 35, # 12 p. 1331 - 1334
2-Mercaptobenzothiazole structure

2-Mercaptobenzo...

CAS#:149-30-4

~%

2-(Thiocyanatomethylthio)benzothiazole Structure

2-(Thiocyanatom...

CAS#:21564-17-0

Literature: Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 35, # 12 p. 1331 - 1334
2-Methylmercaptobenzothiazole structure

2-Methylmercapt...

CAS#:615-22-5

~%

2-(Thiocyanatomethylthio)benzothiazole Structure

2-(Thiocyanatom...

CAS#:21564-17-0

Literature: Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 35, # 12 p. 1331 - 1334
Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI) structure

Benzothiazole, ...

CAS#:3507-54-8

~%

2-(Thiocyanatomethylthio)benzothiazole Structure

2-(Thiocyanatom...

CAS#:21564-17-0

Literature: Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 35, # 12 p. 1331 - 1334
Thiocyanic acid,chloromethyl ester (7CI,8CI,9CI) structure

Thiocyanic acid...

CAS#:3268-79-9

2-Mercaptobenzothiazole structure

2-Mercaptobenzo...

CAS#:149-30-4

~%

2-(Thiocyanatomethylthio)benzothiazole Structure

2-(Thiocyanatom...

CAS#:21564-17-0

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 90, p. 97 - 104

 Preparation

21564-17-0 preparation

 Synonyms

Busan 71
Benthiazole
Tolcide 2230
Superdavloxan
Thiocyanic acid, (2-benzothiazolylthio)methyl ester
2-(thiocyanomethylthio)benzothiazole
2-(thiocyanatomethylthio)-1,3-benzothiazole
MFCD00072503
TCMTB
T56 BN DSJ CS1SCN
Busan 15
2-((Thiocyanatomethyl)thio)benzo[d]thiazole
(2-benzothiazolylthio)methyl thiocyanate
2-thiocyanatomethylsulfanyl-benzothiazole
EINECS 244-445-0
thiocyanatomethylthiobenzothiazole
Delsan 30
(1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate
1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
(1,3-benzothiazol-2-ylthio)methyl thiocyanate
Alentisan
AI3-29396-X
2-(thiocyanatomethylthio)benzothiazole
Ichiban
Sancelant TMB
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