Cas no 15323-47-4 (Phosphorothioic acid,O,O-dimethyl O-2-naphthalenyl ester (9CI))

Phosphorothioic acid,O,O-dimethyl O-2-naphthalenyl ester (9CI) structure
15323-47-4 structure
Product Name:Phosphorothioic acid,O,O-dimethyl O-2-naphthalenyl ester (9CI)
CAS No:15323-47-4
MF:C12H13O3PS
MW:268.268583059311
CID:216687
PubChem ID:134682
Update Time:2025-04-19

Phosphorothioic acid,O,O-dimethyl O-2-naphthalenyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Phosphorothioic acid,O,O-dimethyl O-2-naphthalenyl ester (9CI)
    • O,O-dimethyl O-naphthalen-2-yl phosphorothioate
    • dimethoxy-naphthalen-2-yloxy-sulfanylidene-λ<sup>5</sup>-phosphane
    • Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester
    • Phosphorothioic acid,O,O-dimethyl O-2-naphthalenyl ester
    • 15323-47-4
    • DTXSID30165297
    • dimethoxy-naphthalen-2-yloxy-sulfanylidene-lambda5-phosphane
    • Inchi: 1S/C12H13O3PS/c1-13-16(17,14-2)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
    • InChI Key: ONVNTTKHJBXLET-UHFFFAOYSA-N
    • SMILES: S=P(OC)(OC)OC1C=CC2C=CC=CC=2C=1

Computed Properties

  • Exact Mass: 268.03239
  • Monoisotopic Mass: 268.03230244g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 290
  • 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: 4.6
  • Topological Polar Surface Area: 59.8?2

Experimental Properties

  • PSA: 27.69
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