Cas no 103931-15-3 (1,2-Benzenediol,3-(methylthio)-)

1,2-Benzenediol,3-(methylthio)- structure
103931-15-3 structure
Product Name:1,2-Benzenediol,3-(methylthio)-
CAS No:103931-15-3
MF:C7H8O2S
MW:156.202220916748
CID:211654
PubChem ID:124864
Update Time:2025-04-19

1,2-Benzenediol,3-(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol,3-(methylthio)-
    • 3-(methylthio)catechol
    • 3-methylsulfanylbenzene-1,2-diol
    • 3-(methylsulfanyl)benzene-1,2-diol
    • 3-MTC
    • 103931-15-3
    • SCHEMBL2834212
    • DTXSID90146148
    • Inchi: 1S/C7H8O2S/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
    • InChI Key: SKTUJGHAQHSAEC-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC=C(C=1O)O

Computed Properties

  • Exact Mass: 156.02454
  • Monoisotopic Mass: 156.0245
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 108
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 10
  • XLogP3: 1.7
  • Topological Polar Surface Area: 65.8

Experimental Properties

  • Density: 1.36
  • Boiling Point: 270.6°Cat760mmHg
  • Flash Point: 132.1°C
  • Refractive Index: 1.661
  • PSA: 40.46
  • LogP: 1.81970

1,2-Benzenediol,3-(methylthio)- Related Literature

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