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Substance Name: Allyl mercaptan
RN: 870-23-5
UNII: 1X587IBY09
InChIKey: ULIKDJVNUXNQHS-UHFFFAOYSA-N

Molecular Formula

  • C3-H6-S

Molecular Weight

  • 74.1464
 
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Names and Synonyms

Name of Substance

  • Allyl mercaptan

Synonyms

  • 2-Propene-1-thiol
  • AI3-23286
  • Allyl mercaptan
  • Allyl sulfhydrate
  • Allylthiol
  • EINECS 212-792-7
  • FEMA No. 2035
  • NSC 6744
  • UNII-1X587IBY09

Systematic Name

  • 2-Propene-1-thiol

Superlist Name

  • Allyl mercaptan

Registry Numbers

CAS Registry Number

  • 870-23-5

FDA UNII

  • 1X587IBY09

System Generated Number

  • 0000870235

Structure Descriptors

InChI

1S/C3H6S/c1-2-3-4/h2,4H,1,3H2

InChIKey

ULIKDJVNUXNQHS-UHFFFAOYSA-N

Smiles

C(CS)=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 65 deg C   EXP
log P (octanol-water) 1.620 (none)   EST
Water Solubility 5510 mg/L 25 EST
Vapor Pressure 524 mm Hg 25 EXP
Henry's Law Constant 3.43E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.61E-11 cm3/molecule-sec 25 EST

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