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3-Iminobutanethioamide

3-Iminobutanethioamide structure

CAS No:
32081-55-3
Formula:
C4H8N2S
Chemical Name:
3-Iminobutanethioamide
Synonyms:
Butanethioamide,3-imino-;Butyramide,3-iminothio-;3-Iminobutanethioamide;NSC 119866

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3-Iminobutanethioamide Basic Attributes

Molecular Weight：

116.18

Exact Mass：

116.18

NSC Number：

119866

Characteristics

PSA：

81.96000

XLogP3：

1.50230

Density：

1.18±0.1 g/cm3

Melting Point：

142 °C @ Solvent: Benzene

Boiling Point：

288.9±42.0 °C(Predicted)

Flash Point：

128.5ºC

Refractive Index：

1.566

PKA：

12.93±0.29

Computed Properties

Molecular Weight:116.19
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:116.04081944
Monoisotopic Mass:116.04081944
Topological Polar Surface Area:82
Heavy Atom Count:7
Complexity:97.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Iminobutanethioamide

Basic Attributes
Characteristics
Computed Properties

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