Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isobutyl sulfide
RN: 592-65-4
UNII: 7818B7Q97C
InChIKey: CMWSRWTXVQLHNX-UHFFFAOYSA-N

Molecular Formula

  • C8-H18-S

Molecular Weight

  • 146.2962
 
* 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

  • Isobutyl sulfide

Synonyms

  • 4-01-00-01607 (Beilstein Handbook Reference)
  • AI3-18789
  • BRN 1733069
  • Di(2-methylpropyl)sulfide hydrate
  • Diisobutyl sulfide
  • Diisobutyl sulfide hydrate
  • Isobutylsulfhydrate
  • NSC 8461
  • UNII-7818B7Q97C

Systematic Names

  • Isobutyl sulfide (8CI)
  • Propane, 1,1'-thiobis(2-methyl-
  • Propane, 1,1'-thiobis(2-methyl-, hydrate (9CI)
  • Sulfide, diisobutyl-, hydrate

Registry Numbers

CAS Registry Number

  • 592-65-4

FDA UNII

  • 7818B7Q97C

System Generated Number

  • 0000592654

Structure Descriptors

InChI

1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

CMWSRWTXVQLHNX-UHFFFAOYSA-N

Smiles

CC(C)CSCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 447, 1904.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.06E+02 deg C   EXP
Boiling Point 171 deg C   EXP
log P (octanol-water) 3.720 (none)   EST
Atmospheric OH Rate Constant 2.51E-11 cm3/molecule-sec 25 EST

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