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Substance Name: Phenylthiohydantoin
RN: 2010-15-3
InChIKey: ZZRIQDWDJVLELF-UHFFFAOYSA-N

Note

  • Thiohydantoin benzene derivative.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-N2-O-S

Molecular Weight

  • 192.241
 
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Names and Synonyms

Name of Substance

  • Phenylthiohydantoin

MeSH Heading

  • Phenylthiohydantoin

Synonyms

  • 3-Phenyl-2-thioguidanthion
  • 3-Phenyl-2-thiohydantoin
  • 5-24-05-00245 (Beilstein Handbook Reference)
  • BRN 0152535
  • EINECS 217-927-3
  • Glycine, 3-phenyl-2-thiohydantoin
  • Phenylthiohydantoin glycine

Systematic Names

  • 3-Phenyl-2-thioxoimidazolidin-4-one
  • 4-Imidazolidinone, 3-phenyl-2-thioxo-
  • Hydantoin, 3-phenyl-2-thio-

Registry Numbers

CAS Registry Number

  • 2010-15-3

System Generated Number

  • 0002010153

Structure Descriptors

InChI

1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)

InChIKey

ZZRIQDWDJVLELF-UHFFFAOYSA-N

Smiles

N1(c2ccccc2)C(CNC1=S)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 155mg/kg (155mg/kg)   Farmatsevtichnii Zhurnal Vol. 17(1), Pg. 36, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.190 (none)   EST
Water Solubility 110 mg/L 25 EXP
Atmospheric OH Rate Constant 7.96E-11 cm3/molecule-sec 25 EST

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