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Substance Name: 2-Thiopheneacetonitrile
RN: 20893-30-5
InChIKey: CLSHQIDDCJTHAJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-S

Molecular Weight

  • 123.178
 
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Names and Synonyms

Synonyms

  • AI3-08540
  • EC 244-104-6
  • EINECS 244-104-6

Systematic Names

  • 2-Thienylacetonitrile
  • 2-Thiopheneacetonitrile

Registry Numbers

CAS Registry Number

  • 20893-30-5

System Generated Number

  • 0020893305

Structure Descriptors

InChI

1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2

InChIKey

CLSHQIDDCJTHAJ-UHFFFAOYSA-N

Smiles

N#CCc1sccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.26 (none)   EXP
Water Solubility 4450 mg/L 25 EST
Vapor Pressure 0.034 mm Hg 25 EST
Henry's Law Constant 1.34E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.42E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.