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

Modify Date: 2025-09-12 10:13:04

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

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

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
InChIKey	IDOMWCHALKDGQZ-UHFFFAOYSA-N
SMILES	CC(NNC(=S)N1CCCCCC1)c1cccc[n+]1[O-]

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

Azepane

CAS#:111-49-9

methyl 3-(1-(2-...

CAS#:87587-21-1

~56%

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

1-(1-oxidopyrid...

CAS#:2457-50-3

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

methyl 3-(1-(2-...

CAS#:87587-00-6

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

Precursor 4
CAS#:111-49-9 Azepane CAS#:87587-21-1 methyl 3-(1-(2-... CAS#:2457-50-3 1-(1-oxidopyrid... CAS#:87587-00-6 methyl 3-(1-(2-...
DownStream 0

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.