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Substance Name: Thiophene-2-carbonitrile
RN: 1003-31-2
InChIKey: CUPOOAWTRIURFT-UHFFFAOYSA-N

Molecular Formula

  • C5-H3-N-S

Molecular Weight

  • 109.152
 
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Names and Synonyms

Synonym

  • EINECS 213-706-0

Systematic Name

  • Thiophene-2-carbonitrile

Registry Numbers

CAS Registry Number

  • 1003-31-2

System Generated Number

  • 0001003312

Structure Descriptors

InChI

1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H

InChIKey

CUPOOAWTRIURFT-UHFFFAOYSA-N

Smiles

s1cccc1C#N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 192 deg C   EXP
log P (octanol-water) 1.27 (none)   EXP
Water Solubility 4900 mg/L 25 EST
Vapor Pressure 0.338 mm Hg 25 EST
Henry's Law Constant 2.83E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-12 cm3/molecule-sec 25 EST

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