Cas no 13217-92-0 (2-Pyrrolidinethione,1-butyl-)

2-Pyrrolidinethione,1-butyl- structure
2-Pyrrolidinethione,1-butyl- structure
Product Name:2-Pyrrolidinethione,1-butyl-
CAS No:13217-92-0
MF:C8H15NS
MW:157.27640080452
CID:119385
PubChem ID:19736097
Update Time:2025-04-18

2-Pyrrolidinethione,1-butyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrrolidinethione,1-butyl-
    • 2-Pyrrolidinethione, 1-butyl-
    • 1-Butylpyrrolidine-2-thione
    • 13217-92-0
    • SCHEMBL9440178
    • Inchi: 1S/C8H15NS/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3
    • InChI Key: DNFXKPPLNULZAU-UHFFFAOYSA-N
    • SMILES: S=C1CCCN1CCCC

Computed Properties

  • Exact Mass: 157.09252066g/mol
  • Monoisotopic Mass: 157.09252066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 122
  • 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: 1.6
  • Topological Polar Surface Area: 35.3?2
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