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Substance Name: Benzenecarbothioamide, N-phenyl-
RN: 636-04-4
InChIKey: BOQKCADLPNLYCZ-UHFFFAOYSA-N

Molecular Formula

  • C13-H11-N-S

Molecular Weight

  • 213.303
 
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Names and Synonyms

Synonyms

  • EINECS 211-248-6
  • N-Phenylbenzenecarbothioamide
  • N-Phenylthiobenzamide
  • NSC 2580
  • Thiobenzanilide
  • USAF EK-2010

Systematic Names

  • Benzanilide, thio-
  • Benzenecarbothioamide, N-phenyl-
  • Thiobenzanilide

Registry Numbers

CAS Registry Number

  • 636-04-4

System Generated Number

  • 0000636044

Structure Descriptors

InChI

1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)

InChIKey

BOQKCADLPNLYCZ-UHFFFAOYSA-N

Smiles

c1(C(Nc2ccccc2)=S)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 102 deg C   EXP
log P (octanol-water) 3.03 (none)   EXP
Water Solubility 96.5 mg/L 25 EST
Vapor Pressure 3.02E-05 mm Hg 25 EST
Henry's Law Constant 2.16E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.70E-11 cm3/molecule-sec 25 EST

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