Cas no 17140-24-8 (1,1-dioxo-1,2-benzothiazol-3-one;dodecan-1-amine)

1,1-dioxo-1,2-benzothiazol-3-one;dodecan-1-amine structure
17140-24-8 structure
Product Name:1,1-dioxo-1,2-benzothiazol-3-one;dodecan-1-amine
CAS No:17140-24-8
MF:C19H32N2O3S
MW:368.533984184265
CID:905483
PubChem ID:28317
Update Time:2025-04-19

1,1-dioxo-1,2-benzothiazol-3-one;dodecan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 1,1-dioxo-1,2-benzothiazol-3-one;dodecan-1-amine
    • AC1L1F2Y; NSC206438; 1,2-Benzisothiazolin-3-one, 1,1-dioxide, compd. with dodecylamine (1:1); NSC-206438; 1, 1,1-dioxide, compd. with dodecylamine (1:1); 1, 1,1-dioxide, compd. with 1-dodecanamine (1:1); 1,2-benzothiazol-3(2H)-one 1,1-dioxide - dodecan-1-amine (1:1); 1,2-Benzsothiazol-3(2H)-one, 1,1-dioxide, compd. with 1-dodecanamine (1:1);
    • DTXSID80169083
    • NSC 206438
    • NSC206438
    • 17140-24-8
    • NSC-206438
    • Inchi: 1S/C12H27N.C7H5NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h2-13H2,1H3;1-4H,(H,8,9)
    • InChI Key: SDGNZFWKQHYOQW-UHFFFAOYSA-N
    • SMILES: S1(C2C=CC=CC=2C(N1)=O)(=O)=O.NCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 368.21356
  • Monoisotopic Mass: 368.21336406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 10
  • Complexity: 384
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 97.6?2

Experimental Properties

  • PSA: 89.26
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