1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N-oxide

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Names

[ CAS No. ]:
87587-17-5

[ Name ]:
1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N-oxide

[Synonym ]:
Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide
1H-Azepine-1-carbothioic acid,hexahydro-,2-(1-(2-pyridyl)ethyl)hydrazide,N'''-oxide

Chemical & Physical Properties

[ Density]:
1.24g/cm3

[ Boiling Point ]:
489ºC at 760 mmHg

[ Molecular Formula ]:
C14H22N4OS

[ Molecular Weight ]:
294.41600

[ Flash Point ]:
249.5ºC

[ Exact Mass ]:
294.15100

[ PSA ]:
84.85000

[ LogP ]:
3.15090

[ Index of Refraction ]:
1.626

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CM2626000
CHEMICAL NAME :
1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide
CAS REGISTRY NUMBER :
87587-17-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N4-O-S
MOLECULAR WEIGHT :
294.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 27,87,1984

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Azepane
  • methyl 3-(1-(2-pyridinyl 1-oxide)ethyl)hydrazinecarbodithioate
  • 1-(1-oxidopyridin-6-yl)ethanone
  • methyl 3-(1-(2-pyridinyl 1-oxide)ethylidene)hydrazinecarbodithioate

DownStream

Related Compounds

  • N-(5-fluoro-2-methylphenyl)-2-{[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxy}acetamide
  • 2-((6-(3-methylpiperidin-1-yl)pyrimidin-4-yl)thio)-N-phenylacetamide
  • N-(3-methylbutyl)-1-{4-[(phenylsulfonyl)amino]benzoyl}prolinamide
  • N-(3-phenylpropyl)-2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)thio)acetamide
  • (5-Fluoro-2-phenoxyphenyl)methanol
  • N-(4-methylbenzyl)-2-((6-(4-methylpiperidin-1-yl)pyrimidin-4-yl)thio)acetamide
  • N-(4-methylbenzyl)-2-((6-(3-methylpiperidin-1-yl)pyrimidin-4-yl)thio)acetamide
  • 1-{[1-(3-ethylphenyl)-5-pyridin-3-yl-1H-1,2,3-triazol-4-yl]carbonyl}-4-phenylpiperazine
  • N-{5-[(4-{[(4-chlorophenyl)sulfonyl]amino}piperidin-1-yl)carbonyl]-2-methylphenyl}acetamide
  • 4-methyl-N-{[1-methyl-5-(2-thienylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylbenzamide
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