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  • Thioacetic acid, S-(10-undecenyl) ester

  • Thioacetic acid, S-(10-undecenyl) ester

    Catalog Number
    ACM178561278-1
    CAS Number
    178561-27-8
    Product Name
    Thioacetic acid, S-(10-undecenyl) ester
    Category
    Self-Assembly Materials
    IUPAC Name
    S-undec-10-enyl ethanethioate
    Molecular Weight
    228.4g/mol
    Molecular Formula
    C13H24OS
    Canonical SMILES
    CC(=O)SCCCCCCCCCC=C
    InChI
    InChI=1S/C13H24OS/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3
    InChI Key
    SHNFVLZZKWMGSP-UHFFFAOYSA-N
    Complexity
    166
    Covalently-Bonded Unit Count
    1
    Exact Mass
    228.154787g/mol
    Formal Charge
    0
    Heavy Atom Count
    15
    Monoisotopic Mass
    228.154787g/mol
    Rotatable Bond Count
    11
    XLogP3
    5.2
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