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

Molecular Formula

  • C8-H18-S

Molecular Weight

  • 146.2962
 
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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.