Cas no 1330190-00-5 (Captan-d6)

Captan-d6 structure
Captan-d6 structure
Product Name:Captan-d6
CAS No:1330190-00-5
MF:C9H8Cl3NO2S
MW:306.626288414001
CID:1058034
PubChem ID:71314499
Update Time:2024-11-02

Captan-d6 Chemical and Physical Properties

Names and Identifiers

    • D6-Captan
    • Captan-d6
    • Captan D6
    • Captan D6 100 microg/mL in Acetone
    • 4,4,5,6,7,7-hexadeuterio-2-(trichloromethylsulfanyl)-3a,7a-dihydroisoindole-1,3-dione
    • Captan-4,4,5,6,7,7-D6; Captan D6
    • CS-0436908
    • Captan-3,3,4,5,6,6-d6, 98 atom % D, 98% (CP)
    • 1330190-00-5
    • HY-B1584S
    • DA-51575
    • CAPTAN-3,3,4,5,6,6-D6
    • F90575
    • Inchi: 1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2/i1D,2D,3D2,4D2
    • InChI Key: LDVVMCZRFWMZSG-TZCZJOIZSA-N
    • SMILES: ClC(SN1C(C2C([2H])([2H])C([2H])=C([2H])C([2H])([2H])C2C1=O)=O)(Cl)Cl

Computed Properties

  • Exact Mass: 304.971793g/mol
  • Monoisotopic Mass: 304.971793g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 62.7

Captan-d6 Pricemore >>

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