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Substance Name: Carbamothioic acid, phenyl-, S-methyl ester (9CI)
RN: 13509-38-1
InChIKey: PUIULWGWXRSXTC-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O-S

Molecular Weight

  • 167.231
 
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Names and Synonyms

Synonyms

  • 0-12-00-00386 (Beilstein Handbook Reference)
  • AI3-33177
  • BRN 2803059
  • S-Methyl phenylcarbamothioate
  • S-Methyl thiocarbanilate

Systematic Names

  • Carbamothioic acid, phenyl-, S-methyl ester (9CI)
  • Carbanilic acid, thio-, S-methyl ester

Registry Numbers

CAS Registry Number

  • 13509-38-1

System Generated Number

  • 0013509381

Structure Descriptors

InChI

1S/C8H9NOS/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

InChIKey

PUIULWGWXRSXTC-UHFFFAOYSA-N

Smiles

c1(NC(SC)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04527,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.4 (none)   EXP
Water Solubility 565 mg/L 25 EST
Vapor Pressure 3.63E-05 mm Hg 25 EST
Henry's Law Constant 4.27E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.32E-11 cm3/molecule-sec 25 EST

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