N-(5-Oxo-4,5-dihydro-1,2-dithiolo(4,3-b)pyrrol-6-yl)formamide
Basic information
- CAS
21787-66-6- Standard SMILES
O=CNc1c2sscc-2[nH]c1=O- InChIKey
GXEYRDFCNZTIHI-UHFFFAOYSA-N- Molecular formula
- C6H4N2O2S2
- Average molar mass
- 200.2 g/mol
- Monoisotopic mass
- 199.97141972
Overview
VD 846 is an aromatic amide.
Names & identifiers
- Preferred name
- N-(5-Oxo-4,5-dihydro-1,2-dithiolo(4,3-b)pyrrol-6-yl)formamide
- IUPAC
- N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamide
- English name
- N-(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)formamide
- Molecular formula
- C6H4N2O2S2
- Molecular weight
- 200.24
Names & synonyms
N-(5-Oxo-4,5-dihydro-1,2-dithiolo(4,3-b)pyrrol-6-yl)formamideRefChem:1091358N-(5-oxo-4H-dithiolo(4,3-b)pyrrol-6-yl)formamideVD 84621787-66-6Antibiotic VD 846 BVD 846 BBRN 0519939CHEMBL4641871DTXSID80944397CHEBI:219767VD846
Show more names
vD-846Formamide, N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-
Formamide, N-(5-oxo-4,5-dihydro-1,2-dithiolo(4,3-b)pyrrol-6-yl)-N-(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)formamideN-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)ormamide(5-Hydroxy[1,2]dithiolo[4,3-b]pyrrol-6-yl)methanimidic acid
Database identifiers
- CAS
21787-66-6- PubChem CID
- 168002
- DTXSID
DTXSID80944397- ChEMBL
CHEMBL4641871- ChEBI
CHEBI:219767- Nikkaji
- J96.946J
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 322
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Related reactions
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Compound notes
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