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isoquinoline-3-carbothioamide

isoquinoline-3-carbothioamide structure

CAS No:
435273-38-4
Formula:
C10H8N2S
Chemical Name:
isoquinoline-3-carbothioamide
Synonyms:
isoquinoline-3-carbothioamide;3-Isoquinolinecarbothioamide

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isoquinoline-3-carbothioamide Basic Attributes

Molecular Weight：

188.25

Exact Mass：

188.04081944

Characteristics

Density：

1.313±0.06 g/cm3

Melting Point：

198-198.5 °C(Solv: ethanol (64-17-5))

Boiling Point：

391.3±34.0 °C(Predicted)

PKA：

11.45±0.29

Computed Properties

Molecular Weight:188.25
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:188.04081944
Monoisotopic Mass:188.04081944
Topological Polar Surface Area:71
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of isoquinoline-3-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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