Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isopropyl mercaptan
RN: 75-33-2
UNII: E52LR62ETC
InChIKey: KJRCEJOSASVSRA-UHFFFAOYSA-N

Molecular Formula

  • C3-H8-S

Molecular Weight

  • 76.1622
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isopropyl mercaptan

Synonyms

  • 1-Methylethanethiol
  • 2-Mercaptopropane
  • 2-Propanethiol
  • 2-Propylmercaptan
  • AI3-22988
  • EC 200-861-4
  • EINECS 200-861-4
  • HSDB 625
  • Isopropanethiol
  • Isopropyl mercaptan
  • Isopropylmercaptan
  • Isopropylthiol
  • NSC 87537
  • UNII-E52LR62ETC

Systematic Names

  • 2-Propanethiol
  • Propane-2-thiol

Superlist Names

  • 2-Propanethiol
  • Isopropyl mercaptan

Registry Numbers

CAS Registry Number

  • 75-33-2

FDA UNII

  • E52LR62ETC

System Generated Number

  • 0000075332

Structure Descriptors

InChI

1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

InChIKey

KJRCEJOSASVSRA-UHFFFAOYSA-N

Smiles

C(C)(C)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 130gm/m3/1H (130000mg/m3) BEHAVIORAL: REGIDITY

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
National Technical Information Service. Vol. OTS0571940,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.31E+02 deg C   EXP
Boiling Point 52.6 deg C   EXP
log P (octanol-water) 1.680 (none)   EST
Water Solubility 4840 mg/L 25 EST
Vapor Pressure 277 mm Hg 25 EXP
Henry's Law Constant 4.61E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.20E-11 cm3/molecule-sec 25 EXP

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