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Substance Name: 1-Phenyl-2-thiourea
RN: 103-85-5
UNII: 6F82C6Q54C
InChIKey: FULZLIGZKMKICU-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N2-S

Molecular Weight

  • 152.22
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 100/10000 lb
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Names and Synonyms

Name of Substance

  • 1-Phenyl-2-thiourea
  • Phenylthiourea

MeSH Heading

  • Phenylthiourea

Synonyms

  • 1-Phenyl-2-thiourea
  • 1-Phenylthiourea
  • AI3-07549
  • CCRIS 514
  • EINECS 203-151-2
  • Fenylthiomocovina
  • Fenylthiomocovina [Czech]
  • HSDB 4105
  • N-Phenylthiourea
  • NCI-C02017
  • NSC 5779
  • Phenylthiocarbamide
  • Phenylthiourea
  • PTU
  • RCRA waste number P093
  • Thiourea, phenyl-
  • U 6324
  • UNII-6F82C6Q54C
  • Urea, 1-phenyl-2-thio-
  • USAF EK-1569

Systematic Names

  • 1-Phenyl-2-thiourea
  • Phenyl-2-thiourea
  • Thiourea, N-phenyl-
  • Thiourea, phenyl-
  • Urea, 1-phenyl-2-thio-

Superlist Names

  • 1-Phenyl-2-thiourea
  • Phenylthiourea
  • RCRA waste no. P093
  • Thiourea, phenyl-

Registry Numbers

CAS Registry Number

  • 103-85-5

FDA UNII

  • 6F82C6Q54C

System Generated Number

  • 0000103855

Structure Descriptors

InChI

1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

InChIKey

FULZLIGZKMKICU-UHFFFAOYSA-N

Smiles

c1(ccccc1)NC(N)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 10mg/kg (10mg/kg)   Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973,
rabbit LD50 oral 40mg/kg (40mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 109, 1961.
rat LD50 intraperitoneal 5mg/kg (5mg/kg) ENDOCRINE: HYPERGLYCEMIA Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 186, 1947.
rat LD50 oral 3mg/kg (3mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 109, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 154 deg C   EXP
log P (octanol-water) 0.71 (none)   EXP
Water Solubility 2470 mg/L 25 EXP
Vapor Pressure 2.09E-03 mm Hg 25 EST
Henry's Law Constant 1.04E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.37E-11 cm3/molecule-sec 25 EST

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