2-(Morpholinothio)benzothiazole

Modify Date: 2025-08-26 12:24:44

2-(Morpholinothio)benzothiazole structure	Common Name	2-(Morpholinothio)benzothiazole
	CAS Number	102-77-2	Molecular Weight	252.35600
	Density	1.34-1.40	Boiling Point	413.1ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₂N₂OS₂	Melting Point	78-80°C
	MSDS	N/A	Flash Point	203.6ºC

Name	4-(Benzo[d]thiazol-2-ylthio)morpholine
Synonym	More Synonyms

Density	1.34-1.40
Boiling Point	413.1ºC at 760 mmHg
Melting Point	78-80°C
Molecular Formula	C₁₁H₁₂N₂OS₂
Molecular Weight	252.35600
Flash Point	203.6ºC
Exact Mass	252.03900
PSA	78.90000
LogP	2.57350
Vapour Pressure	2.92E-08mmHg at 25°C
Index of Refraction	1.703
InChIKey	MHKLKWCYGIBEQF-UHFFFAOYSA-N
SMILES	c1ccc2sc(SN3CCOCC3)nc2c1

2-(Morpholinothio)benzothiazole MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL5950000

CHEMICAL NAME :: Benzothiazole, 2-(morpholinothio)-

CAS REGISTRY NUMBER :: 102-77-2

BEILSTEIN REFERENCE NO. :: 0191684

LAST UPDATED :: 199710

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C11-H12-N2-O-S2

MOLECULAR WEIGHT :: 252.37

WISWESSER LINE NOTATION :: T56 BN DSJ CS- AT6N DOTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1870 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1520 mg/kg/15w-I

TOXIC EFFECTS :: Vascular - BP lowering not characterized in autonomic section Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 464 mg/kg

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Parenteral

DOSE :: 400 mg/kg

SEX/DURATION :: female 4-11 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Parenteral

DOSE :: 800 mg/kg

SEX/DURATION :: male 2 day(s) pre-mating female 2 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 10 mg/L

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 5,193,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7192 No. of Facilities: 271 (estimated) No. of Industries: 5 No. of Occupations: 25 No. of Employees: 14076 (estimated) No. of Female Employees: 1420 (estimated)

Hazard Codes	Xi: Irritant;N: Dangerous for the environment;
Risk Phrases	R22
Safety Phrases	S20/21-S36-S61-S37-S26-S24
RIDADR	3077
RTECS	DL5950000
HS Code	2934200090

morpholine

CAS#:110-91-8

2,2'-Dithiobis(...

CAS#:120-78-5

~97%

2-(Morpholinoth...

CAS#:102-77-2

Literature: Bayer Aktiengesellschaft Patent: US4751301 A1, 1988 ;

morpholine

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2-Mercaptobenzo...

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Sodium sulfite

CAS#:7757-83-7

2-(Morpholinoth...

CAS#:102-77-2

Literature: EP314663 A1, ;

morpholine

CAS#:110-91-8

2-Mercaptobenzo...

CAS#:149-30-4

~95%

2-(Morpholinoth...

CAS#:102-77-2

Literature: Ramadas, Krishnamurthy; Srinivasan, Natarajan Synthetic Communications, 1996 , vol. 26, # 22 p. 4179 - 4184

N-CHLOROMORPHOLINE

CAS#:23328-69-0

2-Mercaptobenzo...

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2-(Morpholinoth...

CAS#:102-77-2

Literature: US2840556 , ; US2730527 , ;

N-CHLOROMORPHOLINE

CAS#:23328-69-0

2,2'-Dithiobis(...

CAS#:120-78-5

2-(Morpholinoth...

CAS#:102-77-2

Literature: US2840556 , ; US2730527 , ;

morpholine

CAS#:110-91-8

2-Benzothiazole...

CAS#:2801-21-0

2-(Morpholinoth...

CAS#:102-77-2

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 51, # 3 p. 609 - 613,483 - 486

Precursor 6
CAS#:110-91-8 morpholine CAS#:120-78-5 2,2'-Dithiobis(... CAS#:149-30-4 2-Mercaptobenzo... CAS#:7757-83-7 Sodium sulfite
CAS#:23328-69-0 N-CHLOROMORPHOLINE CAS#:2801-21-0 2-Benzothiazole...
DownStream 10
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CAS#:120-78-5 2,2'-Dithiobis(... CAS#:24044-87-9 Acetic acid,2-(... CAS#:597-25-1 Dimethyl morpho... CAS#:37097-43-1 DIETHOXYMORPHOL...
CAS#:74124-50-8 diisopropyl mor... CAS#:615-22-5 2-Methylmercapt...