Cas no 885280-20-6 (3-ethylbenzene-1-carbothioamide)

3-ethylbenzene-1-carbothioamide structure
885280-20-6 structure
Product Name:3-ethylbenzene-1-carbothioamide
CAS No:885280-20-6
MF:C9H11NS
MW:165.25534081459
CID:711741
PubChem ID:21711611
Update Time:2025-04-19

3-ethylbenzene-1-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbothioamide,3-ethyl-
    • 3-ethylbenzenecarbothioamide
    • 3-ETHYL-THIOBENZAMIDE
    • 3-ETHYLBENZENE-1-CARBOTHIOAMIDE
    • 3-ETHYLBENZOTHIOAMIDE
    • Benzenecarbothioamide,3-ethyl
    • 3-ethylbenzene-1-carbothioamide
    • Inchi: 1S/C9H11NS/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
    • InChI Key: NMSOBHSCKOFAMN-UHFFFAOYSA-N
    • SMILES: S=C(C1=CC=CC(=C1)CC)N

Computed Properties

  • Exact Mass: 165.06100
  • Monoisotopic Mass: 165.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 145
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 58.1?2

Experimental Properties

  • PSA: 58.11000
  • LogP: 2.58350

3-ethylbenzene-1-carbothioamide Pricemore >>

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