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Substance Name: 3-Benzyl-1-methylthiourea
RN: 2740-94-5
InChIKey: GDUBTTXVKWIAKV-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-N2-S

Molecular Weight

  • 180.274
 
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Names and Synonyms

Synonym

  • EINECS 220-369-3

Systematic Name

  • 3-Benzyl-1-methylthiourea

Registry Numbers

CAS Registry Number

  • 2740-94-5

System Generated Number

  • 0002740945

Structure Descriptors

InChI

1S/C9H12N2S/c1-10-9(12)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12)

InChIKey

GDUBTTXVKWIAKV-UHFFFAOYSA-N

Smiles

CNC(=S)NCc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 74-76 deg C   EXP
log P (octanol-water) 1.35 (none)   EXP
Water Solubility 3.93E+04 mg/L 25 EST
Vapor Pressure 5.94E-04 mm Hg 25 EST
Henry's Law Constant 6.15E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-10 cm3/molecule-sec 25 EST

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