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Substance Name: Butyl methyl sulfide
RN: 628-29-5
UNII: 2N5IMB9XAP
InChIKey: WCXXISMIJBRDQK-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-S

Molecular Weight

  • 104.216
 
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Names and Synonyms

Name of Substance

  • Butyl methyl sulfide

Synonyms

  • Butane, 1-(methylthio)-
  • EINECS 211-034-2
  • Methyl butyl sulphide
  • UNII-2N5IMB9XAP

Systematic Names

  • Butane, 1-(methylthio)-
  • Butyl methyl sulphide

Registry Numbers

CAS Registry Number

  • 628-29-5

FDA UNII

  • 2N5IMB9XAP

System Generated Number

  • 0000628295

Structure Descriptors

InChI

1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3

InChIKey

WCXXISMIJBRDQK-UHFFFAOYSA-N

Smiles

C(CSC)CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.78E+01 deg C   EXP
Boiling Point 123.5 deg C   EXP
log P (octanol-water) 2.390 (none)   EST
Water Solubility 1030 mg/L 25 EST
Henry's Law Constant 1.84E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-11 cm3/molecule-sec 25 EST

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