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4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide

4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide structure

CAS No:
519056-55-4
Formula:
C13H17N5S
Chemical Name:
4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide
Synonyms:
1H-1,4-Diazepine-1-carbothioamide,4-(5-cyano-2-pyridinyl)hexahydro-N-methyl-;4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide

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4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide Basic Attributes

Molecular Weight：

275.37

Exact Mass：

275.37

DSSTox ID：

DTXSID70372640

Characteristics

PSA：

87.3

XLogP3：

1.36348

Density：

1.28g/cm3

Melting Point：

183 °C

Boiling Point：

468.2ºC at 760 mmHg

Flash Point：

237ºC

Refractive Index：

1.646

Computed Properties

Molecular Weight:275.38
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:275.12046674
Monoisotopic Mass:275.12046674
Topological Polar Surface Area:87.3
Heavy Atom Count:19
Complexity:363
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide

Basic Attributes
Characteristics
Computed Properties

4-(5-Cyano-2-pyridinyl)hexahydro-N-methyl-1H-1,4-diazepine-1-carbothioamide

SDS

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