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Substance Name: Thiophenyl acetate
RN: 934-87-2
InChIKey: WBISVCLTLBMTDS-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Nematocide

Molecular Formula

  • C8-H8-O-S

Molecular Weight

  • 152.216
 
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Names and Synonyms

Name of Substance

  • Thiophenyl acetate

Synonyms

  • 4-06-00-01522 (Beilstein Handbook Reference)
  • AI3-15532
  • BRN 1858641
  • EINECS 213-294-2
  • S-Phenyl thioacetate

Systematic Names

  • Acetic acid, thio-, S-phenyl ester
  • Ethanethioic acid, S-phenyl ester
  • S-Phenyl thioacetate

Registry Numbers

CAS Registry Number

  • 934-87-2

System Generated Number

  • 0000934872

Structure Descriptors

InChI

1S/C8H8OS/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

WBISVCLTLBMTDS-UHFFFAOYSA-N

Smiles

c1(ccccc1)SC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1179, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.23 (none)   EXP
Water Solubility 925 mg/L 25 EST
Vapor Pressure 0.037 mm Hg 25 EST
Henry's Law Constant 1.25E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.33E-12 cm3/molecule-sec 25 EST

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