Cas no 64096-87-3 (1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid)

1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid structure
64096-87-3 structure
Product Name:1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid
CAS No:64096-87-3
MF:C6H10O4S
MW:178.206201076508
MDL:MFCD03102802
CID:424975
Update Time:2025-08-05

1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide
    • 2H-Thiopyran-4-carboxylic acid, tetrahydro-, 1,1-dioxide
    • TETRAHYDROTHIOPYRANE-4-CARBOXYLIC ACID 1,1-DIOXIDE
    • 1,1-Dioxo-hexahydro-1l6-thiopyran-4-carboxylic acid
    • 1,1-DIOXO-TETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACID
    • TETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACID 1,1-DIOXIDE
    • 1,1-dioxothiane-4-carboxylic Acid
    • RPJRJUVGGDVVDF-UHFFFAOYSA-N
    • TETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLIC ACID-1,1-DIOXIDE
    • WT1087
    • PB30750
    • MCU
    • 1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid
    • MDL: MFCD03102802
    • Inchi: 1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8)
    • InChI Key: RPJRJUVGGDVVDF-UHFFFAOYSA-N
    • SMILES: S1(CCC(C(=O)O)CC1)(=O)=O

Computed Properties

  • Exact Mass: 178.03
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 234
  • Topological Polar Surface Area: 79.8

Experimental Properties

  • Density: 1.422±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 195-196 oC (acetone ligroine )
  • Solubility: Slightly soluble (12 g/l) (25 o C),
  • PSA: 71.44

1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid Security Information

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