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1-Cyano-2,3-epithiopropane

1-Cyano-2,3-epithiopropane structure

CAS No:
58130-93-1
Formula:
C4H5NS
Chemical Name:
1-Cyano-2,3-epithiopropane
Synonyms:
2-Thiiraneacetonitrile;Thiiraneacetonitrile;1-Cyano-2,3-epithiopropane;3,4-Epithiobutanenitrile;3,4-Epithiobutylnitrile;76786-80-6

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1-Cyano-2,3-epithiopropane Basic Attributes

Molecular Weight：

99.16 g/mol

Exact Mass：

99.15

Characteristics

PSA：

49.1 Å²

Water Solubility：

3.937e+004 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

3,4-epithiobutanenitrile

Computed Properties

Molecular Weight:99.16
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:99.01427034
Monoisotopic Mass:99.01427034
Topological Polar Surface Area:49.1
Heavy Atom Count:6
Complexity:91
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Cyano-2,3-epithiopropane

Basic Attributes
Characteristics
Drug Information
Computed Properties

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