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Substance Name: N,N'-Diphenylthiourea
RN: 102-08-9
UNII: 9YCB5VR86Z
InChIKey: FCSHMCFRCYZTRQ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C13-H12-N2-S

Molecular Weight

  • 228.318
 
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Names and Synonyms

Name of Substance

  • Diphenylthiourea
  • N,N'-Diphenylthiourea

Synonyms

  • 1,3-Difenylthiomocovina
  • 1,3-Difenylthiomocovina [Czech]
  • 1,3-Diphenyl-2-thiourea
  • 1,3-Diphenylthiourea
  • 2-Fenylotiomocznik
  • 2-Fenylotiomocznik [Polish]
  • AI3-00852
  • CCRIS 5941
  • DFT
  • Diphenylthiourea
  • Diphenylthiourea (VAN)
  • EC 203-004-2
  • EINECS 203-004-2
  • HSDB 2758
  • N,N'-Diphenylthiocarbamide
  • N,N'-Diphenylthiourea
  • Nocceler C
  • NSC 28134
  • Rhenocure CA
  • s-Diphenylthiocarbamide
  • Stabilisator C
  • Sulfocarbanilide
  • Thiocarbanilide
  • Thiokarbanilid
  • Thiokarbanilid [Czech]
  • Thiourea, N,N'-diphenyl-
  • Thiourea, s-diphenyl-
  • Thiourea, sym-diphenyl-
  • UNII-9YCB5VR86Z
  • Urea, 1,3-diphenyl-2-thio-
  • USAF EK-245
  • Vulkacit CA

Systematic Names

  • 1,3-Diphenyl-2-thiourea
  • Carbanilide, thio-
  • Thiocarbanilide
  • Thiourea, N,N'-diphenyl-

Registry Numbers

CAS Registry Number

  • 102-08-9

FDA UNII

  • 9YCB5VR86Z

System Generated Number

  • 0000102089

Structure Descriptors

InChI

1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

InChIKey

FCSHMCFRCYZTRQ-UHFFFAOYSA-N

Smiles

c1(NC(Nc2ccccc2)=S)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 720mg/kg (720mg/kg) BEHAVIORAL: ANALGESIA

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 17, Pg. 349, 1921.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LDLo oral 1500mg/kg (1500mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmacology and Experimental Therapeutics. Vol. 17, Pg. 349, 1921.
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   Medycyna Pracy. Industrial Medicine. Vol. 16, Pg. 35, 1965.
rat LD50 oral 50mg/kg (50mg/kg)   Archives of Toxicology. Vol. 54, Pg. 275, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 154.5 deg C   EXP
log P (octanol-water) 3.210 (none)   EST
Water Solubility 56 mg/L 25 EST
Vapor Pressure 5.94E-06 mm Hg 25 EST
Henry's Law Constant 4.81E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.53E-11 cm3/molecule-sec 25 EST

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