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Substance Name: Phenyl sulfide
RN: 139-66-2
UNII: B5P3Y93MNR
InChIKey: LTYMSROWYAPPGB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H10-S

Molecular Weight

  • 186.277
 
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Names and Synonyms

Name of Substance

  • Diphenyl sulfide
  • Phenyl sulfide

Synonyms

  • 1,1'-Thiobis(benzene)
  • AI3-10564
  • Diphenyl monosulfide
  • Diphenyl sulfide
  • Diphenyl sulphide
  • Diphenyl thioether
  • Diphenylmercaptan
  • Diphenylsulphide
  • Diphenylthiamethane
  • EINECS 205-371-4
  • NSC 4568
  • Phenylthiobenzene
  • Sulfide, diphenyl
  • UNII-B5P3Y93MNR

Systematic Names

  • Benzene, 1,1'-thiobis-
  • Diphenyl sulphide
  • Phenyl sulfide

Superlist Name

  • Phenyl sulfide

Registry Numbers

CAS Registry Number

  • 139-66-2

FDA UNII

  • B5P3Y93MNR

System Generated Number

  • 0000139662

Structure Descriptors

InChI

1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChIKey

LTYMSROWYAPPGB-UHFFFAOYSA-N

Smiles

c1(Sc2ccccc2)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 11300uL/kg (11.3mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 490uL/kg (0.49mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.59E+01 deg C   EXP
Boiling Point 296 deg C   EXP
log P (octanol-water) 4.45 (none)   EXP
Water Solubility 8.120 mg/L 25 EST
Henry's Law Constant 3.14E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.51E-11 cm3/molecule-sec 25 EST

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