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Substance Name: sec-Butyl mercaptan
RN: 513-53-1
UNII: Y2D731QBYN
InChIKey: LOCHFZBWPCLPAN-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-S

Molecular Weight

  • 90.189
 
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Names and Synonyms

Name of Substance

  • sec-Butyl mercaptan

Synonyms

  • 1-Methyl-1-propanethiol
  • 2-Butanethiol
  • 2-Butyl mercaptan
  • 2-Butylmercaptan
  • 2-Mercaptobutane
  • EINECS 208-165-2
  • HSDB 1610
  • NSC 78417
  • sec-Butanethiol
  • sec-Butyl mercaptan
  • sec-Butyl thioalcohol
  • sec-Butyl thiol
  • secondary Butylmercaptan
  • UNII-Y2D731QBYN

Systematic Name

  • 2-Butanethiol

Superlist Name

  • 2-Butanethiol

Registry Numbers

CAS Registry Number

  • 513-53-1

FDA UNII

  • Y2D731QBYN

Other Registry Number

  • 91840-99-2

System Generated Number

  • 0000513531

Structure Descriptors

InChI

1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey

LOCHFZBWPCLPAN-UHFFFAOYSA-N

Smiles

C([C@@H](C)S)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.65E+02 deg C   EXP
Boiling Point 84.5 deg C   EXP
log P (octanol-water) 2.180 (none)   EST
Water Solubility 1320 mg/L 20 EXP
Vapor Pressure 80.7 mm Hg 25 EXP
Henry's Law Constant 7.26E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.00E-11 cm3/molecule-sec 25 EXP

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