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Substance Name: Propyl sulfide
RN: 111-47-7
UNII: Q6J7GNX8F9
InChIKey: ZERULLAPCVRMCO-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-S

Molecular Weight

  • 118.243
 
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Names and Synonyms

Name of Substance

  • Dipropyl sulfide
  • Propyl sulfide

Synonyms

  • 1,1'-Thiobispropane
  • 4-Thiaheptane
  • AI3-18787
  • CCRIS 3253
  • Di-n-propyl sulfide
  • Dipropyl sulfide
  • Dipropyl thioether
  • EINECS 203-873-8
  • NSC 78429
  • Propyl monosulfide
  • UNII-Q6J7GNX8F9

Systematic Names

  • Dipropyl sulfide
  • Dipropyl sulphide
  • Propane, 1,1'-thiobis-
  • Propyl sulfide (8CI)

Registry Numbers

CAS Registry Number

  • 111-47-7

FDA UNII

  • Q6J7GNX8F9

System Generated Number

  • 0000111477

Structure Descriptors

InChI

1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3

InChIKey

ZERULLAPCVRMCO-UHFFFAOYSA-N

Smiles

S(CCC)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.03E+02 deg C   EXP
Boiling Point 142.9 deg C   EXP
log P (octanol-water) 2.880 (none)   EST
Water Solubility 351 mg/L 25 EST
Henry's Law Constant 2.44E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-11 cm3/molecule-sec 25 EXP

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