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

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Names

[ CAS No. ]:
65858-52-8

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

[Synonym ]:
2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate hydrobromide
Carbamimidothioic acid,2,1,3-benzothiadiazol-5-ylmethyl ester,monohydrobromide

Chemical & Physical Properties

[ 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

Toxicological Information

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

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • [2-Phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide