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

Modify Date: 2024-01-16 19:07:01

1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N-oxide Structure
1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N-oxide structure
Common Name 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N-oxide
CAS Number 87587-17-5 Molecular Weight 294.41600
Density 1.24g/cm3 Boiling Point 489ºC at 760 mmHg
Molecular Formula C14H22N4OS Melting Point N/A
MSDS N/A Flash Point 249.5ºC

 Names

Name N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide
Synonym More Synonyms

 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

~56%

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

1H-Azepine-1-ca...

CAS#:87587-17-5

Literature: Scovill, John P.; Klayman, Daniel L.; Lambros, Chris; Childs, George E.; Notsch, John D. Journal of Medicinal Chemistry, 1984 , vol. 27, # 1 p. 87 - 91

~%

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

1H-Azepine-1-ca...

CAS#:87587-17-5

Literature: Scovill, John P.; Klayman, Daniel L.; Lambros, Chris; Childs, George E.; Notsch, John D. Journal of Medicinal Chemistry, 1984 , vol. 27, # 1 p. 87 - 91

~%

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

1H-Azepine-1-ca...

CAS#:87587-17-5

Literature: Scovill, John P.; Klayman, Daniel L.; Lambros, Chris; Childs, George E.; Notsch, John D. Journal of Medicinal Chemistry, 1984 , vol. 27, # 1 p. 87 - 91

 Synonyms

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
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