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Substance Name: Benzyl sulfide
RN: 538-74-9
UNII: Q08048624M
InChIKey: LUFPJJNWMYZRQE-UHFFFAOYSA-N

Molecular Formula

  • C14-H14-S

Molecular Weight

  • 214.331
 
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Names and Synonyms

Name of Substance

  • Benzyl sulfide

Synonyms

  • 1,1'-(Thiobis(methylene))bisbenzene
  • 1,3-Diphenyl-2-thiapropane
  • AI3-00842
  • Benzene, 1,1'-(thiobis(methylene))bis-
  • Benzyl monosulfide
  • Benzyl sulfide
  • Benzyl thioether
  • CCRIS 5969
  • Dibenzyl monosulfide
  • Dibenzyl sulfide
  • Dibenzyl thioether
  • EINECS 208-703-6
  • HSDB 2794
  • NSC 212544
  • Sulfide, dibenzyl
  • UNII-Q08048624M

Systematic Names

  • Benzene, 1,1'-(thiobis(methylene))bis-
  • Benzyl sulfide (8CI)
  • Dibenzyl sulphide

Registry Numbers

CAS Registry Number

  • 538-74-9

FDA UNII

  • Q08048624M

System Generated Number

  • 0000538749

Structure Descriptors

InChI

InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

LUFPJJNWMYZRQE-UHFFFAOYSA-N

Smiles

C(SCc1ccccc1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 49.5 deg C   EXP
log P (octanol-water) 4.330 (none)   EST
Water Solubility 9.210 mg/L 25 EST
Vapor Pressure 2.89E-04 mm Hg 25 EST
Henry's Law Constant 5.12E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.60E-11 cm3/molecule-sec 25 EST

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