Cas no 1314936-03-2 (3-(tert-Butyl)benzothioamide)

3-(tert-Butyl)benzothioamide structure
3-(tert-Butyl)benzothioamide structure
Product Name:3-(tert-Butyl)benzothioamide
CAS No:1314936-03-2
MF:C11H15NS
MW:193.30850148201
CID:1038872
PubChem ID:46779073
Update Time:2025-04-20

3-(tert-Butyl)benzothioamide Chemical and Physical Properties

Names and Identifiers

    • 3-(tert-Butyl)benzothioamide
    • 3-tert-Butylbenzene-1-carbothioamide
    • CS-0217315
    • EN300-735832
    • 3-tert-butylbenzenecarbothioamide
    • AKOS006328827
    • Benzenecarbothioamide, 3-(1,1-dimethylethyl)-
    • A888448
    • 1314936-03-2
    • DTXSID60675475
    • MDL: MFCD09757533
    • Inchi: 1S/C11H15NS/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
    • InChI Key: VRVYIIASIHOGIN-UHFFFAOYSA-N
    • SMILES: S=C(C1=CC=CC(=C1)C(C)(C)C)N

Computed Properties

  • Exact Mass: 193.09252066g/mol
  • Monoisotopic Mass: 193.09252066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 58.1?2

3-(tert-Butyl)benzothioamide Pricemore >>

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