Cas no 21787-66-6 (Formamide,N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-)

Formamide,N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)- structure
21787-66-6 structure
Product Name:Formamide,N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-
CAS No:21787-66-6
MF:C6H4N2O2S2
MW:200.238158226013
CID:264927
PubChem ID:168002
Update Time:2025-04-19

Formamide,N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)- Chemical and Physical Properties

Names and Identifiers

    • Formamide,N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-
    • VD 846 B
    • N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)ormamide
    • (5-Hydroxy[1,2]dithiolo[4,3-b]pyrrol-6-yl)methanimidic acid
    • Antibiotic VD 846 B
    • VD 846
    • 21787-66-6
    • BRN 0519939
    • N-(5-Oxo-4,5-dihydro-1,2-dithiolo(4,3-b)pyrrol-6-yl)formamide
    • CHEBI:219767
    • CHEMBL4641871
    • Formamide, N-(5-oxo-4,5-dihydro-1,2-dithiolo(4,3-b)pyrrol-6-yl)-
    • VD846
    • DTXSID80944397
    • Inchi： 1S/C6H4N2O2S2/c9-2-7-4-5-3(1-11-12-5)8-6(4)10/h1-2H,(H,7,9)(H,8,10)
    • InChI Key： GXEYRDFCNZTIHI-UHFFFAOYSA-N
    • SMILES： S1C2=C(C(NC2=CS1)=O)NC=O

Computed Properties

  • Exact Mass: 199.97152
  • Monoisotopic Mass: 199.971
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 322
  • 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: -0.8
  • Topological Polar Surface Area: 109?2

Experimental Properties

  • Density: 1.74
  • Boiling Point: 533.5°Cat760mmHg
  • Flash Point: 276.4°C
  • Refractive Index: 1.789
  • PSA: 58.2

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