8-thia-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-3-ylmethylsulfanylmethanimidamide

Modify Date: 2025-11-28 11:58:08

8-thia-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-3-ylmethylsulfanylmethanimidamide structure	Common Name	8-thia-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-3-ylmethylsulfanylmethanimidamide
	CAS Number	65858-52-8	Molecular Weight	305.21800
	Density	1.64g/cm3	Boiling Point	382.4ºC at 760 mmHg
	Molecular Formula	C₈H₉BrN₄S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	185.1ºC

Name	2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate,hydrobromide
Synonym	More Synonyms

Density	1.64g/cm3
Boiling Point	382.4ºC at 760 mmHg
Molecular Formula	C₈H₉BrN₄S₂
Molecular Weight	305.21800
Flash Point	185.1ºC
Exact Mass	303.94500
PSA	129.19000
LogP	3.57610
Index of Refraction	1.829
InChIKey	AAZGCLNSBIGVTB-UHFFFAOYSA-N
SMILES	Br.N=C(N)SCc1ccc2nsnc2c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FD3065500

CHEMICAL NAME :: Carbamimidothioic acid, 2,1,3-benzothiadiazol-5-ylmethyl ester, monohydrobromide

CAS REGISTRY NUMBER :: 65858-52-8

LAST UPDATED :: 199603

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H8-N4-S2.Br-H

MOLECULAR WEIGHT :: 305.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 75 mg/kg

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

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 15,968,1977

2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate hydrobromide

Carbamimidothioic acid,2,1,3-benzothiadiazol-5-ylmethyl ester,monohydrobromide

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