Cas no 1314934-69-4 (2-tert-butylbenzene-1-carbothioamide)

2-tert-butylbenzene-1-carbothioamide structure
1314934-69-4 structure
Product Name:2-tert-butylbenzene-1-carbothioamide
CAS No:1314934-69-4
MF:C11H15NS
MW:193.30850148201
CID:1038871
PubChem ID:46779072
Update Time:2025-04-20

2-tert-butylbenzene-1-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)benzothioamide
    • 2-tert-butylbenzene-1-carbothioamide
    • Benzenecarbothioamide, 2-(1,1-dimethylethyl)-
    • CS-0272978
    • EN300-1857314
    • AKOS006328826
    • DB-261439
    • A888450
    • DTXSID00675474
    • 2-TERT-BUTYLTHIOBENZAMIDE
    • 1314934-69-4
    • MDL: MFCD09757532
    • Inchi: 1S/C11H15NS/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H2,12,13)
    • InChI Key: QCLARGTWZRYWDZ-UHFFFAOYSA-N
    • SMILES: S=C(C1C=CC=CC=1C(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

2-tert-butylbenzene-1-carbothioamide Pricemore >>

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