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Substance Name: (Methylthio)pyrazine
RN: 21948-70-9
UNII: R1C97E3A4F
InChIKey: KBPBOWBQRUXMFV-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-N2-S

Molecular Weight

  • 126.1824
 
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Names and Synonyms

Name of Substance

  • (Methylthio)pyrazine

Synonyms

  • 2-Methylmercaptopyrazine
  • 2-Methylthiopyrazine
  • EINECS 244-675-1
  • FEMA No. 3231
  • Methyl pyrazinyl sulfide
  • Pyrazine, (methylthio)-
  • Pyrazinyl methyl sulfide
  • UNII-R1C97E3A4F

Systematic Names

  • (Methylthio)pyrazine
  • Pyrazine, (methylthio)-
  • Pyrazine, 2-(methylthio)-

Superlist Name

  • (Methylthio)pyrazine

Registry Numbers

CAS Registry Number

  • 21948-70-9

FDA UNII

  • R1C97E3A4F

System Generated Number

  • 0021948709

Structure Descriptors

InChI

1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3

InChIKey

KBPBOWBQRUXMFV-UHFFFAOYSA-N

Smiles

n1c(cncc1)SC

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 0.48 (none) 20 EXP
log P (octanol-water) 1.17 (none)   EXP
Water Solubility 9530 mg/L 25 EST
Vapor Pressure 0.211 mm Hg 25 EST
Henry's Law Constant 3.31E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.54E-12 cm3/molecule-sec 25 EST

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