Cas no 37488-45-2 (1H-Pyrrole-2-carbothioamide)

1H-Pyrrole-2-carbothioamide structure
1H-Pyrrole-2-carbothioamide structure
Product Name:1H-Pyrrole-2-carbothioamide
CAS No:37488-45-2
MF:C5H6N2S
MW:126.179539203644
MDL:MFCD00123524
CID:1111692
PubChem ID:13589313
Update Time:2025-04-20

1H-Pyrrole-2-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2-carbothioamide
    • 37488-45-2
    • KJEMJZMJDZLKRH-UHFFFAOYSA-N
    • EN300-84453
    • MFCD00123524
    • SCHEMBL79088
    • SB62734
    • AKOS004902945
    • Pyrrole-2-carbothioamide
    • Pyrrole-2-thiocarboxamide
    • Pyrrole-2-thiocarboxamide, AldrichCPR
    • CS-0262958
    • MDL： MFCD00123524
    • Inchi： 1S/C5H6N2S/c6-5(8)4-2-1-3-7-4/h1-3,7H,(H2,6,8)
    • InChI Key： KJEMJZMJDZLKRH-UHFFFAOYSA-N
    • SMILES： S=C(C1=CC=CN1)N

Computed Properties

  • Exact Mass: 126.02516937g/mol
  • Monoisotopic Mass: 126.02516937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 103
  • 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: 0.5
  • Topological Polar Surface Area: 73.9?2

1H-Pyrrole-2-carbothioamide Pricemore >>

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