Cas no 69261-29-6 (2-methylthian-3-one)

2-methylthian-3-one structure
2-methylthian-3-one structure
Product Name:2-methylthian-3-one
CAS No:69261-29-6
MF:C6H10OS
MW:130.208000659943
CID:391996
PubChem ID:13261017
Update Time:2025-04-19

2-methylthian-3-one Chemical and Physical Properties

Names and Identifiers

    • 2H-Thiopyran-3(4H)-one, dihydro-2-methyl-
    • 2-methylthian-3-one
    • EN300-102991
    • 69261-29-6
    • SCHEMBL10150385
    • A929897
    • 2-methyldihydro-2H-thiopyran-3(4H)-one
    • CS-0230266
    • DTXSID50532760
    • Z1359849054
    • Inchi: 1S/C6H10OS/c1-5-6(7)3-2-4-8-5/h5H,2-4H2,1H3
    • InChI Key: XSZKBYSDJFQKLT-UHFFFAOYSA-N
    • SMILES: S1CCCC(C1C)=O

Computed Properties

  • Exact Mass: 130.04523611g/mol
  • Monoisotopic Mass: 130.04523611g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 42.4?2

2-methylthian-3-one Pricemore >>

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