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Substance Name: 2-(Methylthio)aniline
RN: 2987-53-3
InChIKey: WBRPQQSADOCKCH-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-N-S

Molecular Weight

  • 139.221
 
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Names and Synonyms

Synonym

  • EINECS 221-055-9

Systematic Name

  • 2-(Methylthio)aniline

Registry Numbers

CAS Registry Number

  • 2987-53-3

System Generated Number

  • 0002987533

Structure Descriptors

InChI

1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

InChIKey

WBRPQQSADOCKCH-UHFFFAOYSA-N

Smiles

Nc1ccccc1SC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 234 deg C   EXP
pKa Dissociation Constant 3.45 (none) 20 EXP
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 7970 mg/L 25 EST
Vapor Pressure 0.012 mm Hg 25 EST
Henry's Law Constant 5.55E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.72E-11 cm3/molecule-sec 25 EST

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