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

  • rac-(1R,2R,3R,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
  • 2-(4-Fluorophenyl)-1,3-benzoxazole-5-carbonitrile
  • 1-(4-Indazol-1-ylpiperidin-1-yl)prop-2-en-1-one
  • N-[(4R)-6-fluoro-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentane]-4-yl]prop-2-enamide
  • N-[4-(2-Fluorophenyl)butan-2-yl]prop-2-enamide
  • N-(2,2-Dimethyl-1-pyrimidin-2-ylpropyl)prop-2-enamide
  • N-[1-(2-Methylsulfonylethyl)pyrazol-4-yl]prop-2-enamide
  • 1-[3-(3,4-Dimethoxyphenyl)pyrrolidin-1-yl]prop-2-en-1-one
  • N-[(2,2,6,6-tetramethyloxan-4-yl)methyl]prop-2-enamide
  • N-[(2,2-Difluoro-1-phenylcyclopropyl)methyl]prop-2-enamide
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