Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N-oxide
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Purity: 98.0%
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87587-17-5

87587-17-5 structure

Name: 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N-oxide
Chemical Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide
CAS Number: 87587-17-5
Molecular Formula: C₁₄H₂₂N₄OS
Molecular Weight: 294.41600
Create Date: 2017-05-05 15:21:01
Modify Date: 2024-01-16 19:07:01

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

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

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

111-49-9

87587-21-1

~56%

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

2457-50-3

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

87587-00-6

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
111-49-9 87587-21-1 2457-50-3 87587-00-6
DownStream 0

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940364-43-2	873580-32-6
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6906-52-1	930439-75-1
1018584-77-4	936083-41-9