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2-Cyanotetrahydrothiophene

2-Cyanotetrahydrothiophene structure

2-Cyanotetrahydrothiophene 

structure
  • CAS No:

    112212-94-9

  • Formula:

    C5H7NS

  • Chemical Name:

    2-Cyanotetrahydrothiophene

  • Synonyms:

    2-Cyanotetrahydrothiophene;tetrahydrothiophene-2-carbonitrile;2-((3-chloropropyl)thio)propanenitrile;2-Tetrahydrothiophenecarbonitrile

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-Cyanotetrahydrothiophene Basic Attributes

113.18

113.029922

DTXSID20549188

2934999090

Characteristics

49.1

0.15

1.12±0.1 g/cm3(Predicted)

110-115℃ (15 Torr)

104.5±25.4 °C

1.528

Computed Properties

Molecular Weight:113.18
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Exact Mass:113.02992040
Monoisotopic Mass:113.02992040
Topological Polar Surface Area:49.1
Heavy Atom Count:7
Complexity:102
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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