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Substance Name: Aniline, N-acetyl-3-methylthio-
RN: 2524-78-9
InChIKey: XKSHGBQHPUBJLB-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-N-O-S

Molecular Weight

  • 181.258
 
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Names and Synonyms

Synonyms

  • 4-13-00-01010 (Beilstein Handbook Reference)
  • Aniline, N-acetyl-3-(methylthio)-
  • BRN 2087488
  • N-Acetyl-m-methylthioaniline
  • NSC 157358

Systematic Names

  • Acetamide, N-(3-(methylthio)phenyl)- (9CI)
  • Aniline, N-acetyl-3-methylthio-

Registry Numbers

CAS Registry Number

  • 2524-78-9

System Generated Number

  • 0002524789

Structure Descriptors

InChI

1S/C9H11NOS/c1-7(11)10-9-4-2-3-8(5-9)6-12/h2-5,12H,6H2,1H3,(H,10,11)

InChIKey

XKSHGBQHPUBJLB-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)CS)NC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.14 (none)   EXP
Water Solubility 808 mg/L 25 EST
Vapor Pressure 1.46E-05 mm Hg 25 EST
Henry's Law Constant 1.80E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.12E-11 cm3/molecule-sec 25 EST

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