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N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide

N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide structure

CAS No:
16553-00-7
Formula:
C13H18N4S
Chemical Name:
N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide
Synonyms:
Hexahydro-1H-azepine-1-thiocarboxylic acid (2-pyridylmethylene)hydrazide; N'-(2-Pyridinylmethylene)-1-azepanecarbothiohydrazide; (E)-N'-(pyridin-2-ylmethylene)azepane-1-carbothiohydrazide; Pyridin-2-carbaldehyd-(4,4-hexamethylenthiosemicarbazon); 1H-AZEPINE-1-THIOCARBOXYLIC ACID,HEXAHYDRO-,(2-PYRIDYLMETHYLENE)HYDRAZIDE;

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N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide Basic Attributes

Molecular Weight：

262.37400

Exact Mass：

262.12521776

NSC Number：

667872

DSSTox ID：

DTXSID60167961

Characteristics

PSA：

79.65000

XLogP3：

2.51520

Density：

1.201g/cm3

Boiling Point：

404.188ºC

Flash Point：

198.246ºC

Refractive Index：

1.631

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:262.38
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:262.12521776
Monoisotopic Mass:262.12521776
Topological Polar Surface Area:72.6
Heavy Atom Count:18
Complexity:285
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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