Cas no 99970-41-9 (10H-Phenothiazine-2-thiol)

10H-Phenothiazine-2-thiol structure
10H-Phenothiazine-2-thiol structure
Product Name:10H-Phenothiazine-2-thiol
CAS No:99970-41-9
MF:C12H9NS2
MW:231.33656001091
CID:749949
PubChem ID:615762
Update Time:2025-04-19

10H-Phenothiazine-2-thiol Chemical and Physical Properties

Names and Identifiers

    • 10H-Phenothiazine-2-thiol
    • 10H-Phenothiazin-2-yl hydrosulfide #
    • SCHEMBL8714426
    • 99970-41-9
    • 2-Mercaptophenothiazine
    • DTXSID40346853
    • IOAMEGIEDDLSFG-UHFFFAOYSA-N
    • Inchi: 1S/C12H9NS2/c14-8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)15-12/h1-7,13-14H
    • InChI Key: IOAMEGIEDDLSFG-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2NC2C=C(C=CC1=2)S

Computed Properties

  • Exact Mass: 231.01764164g/mol
  • Monoisotopic Mass: 231.01764164g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 234
  • 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
  • XLogP3: 4.3
  • Topological Polar Surface Area: 38.3?2
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