2-Mercapto-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
Basic information
- CAS
93272-85-6- Standard SMILES
Cc1cc(=O)[nH]c(S)c1C#N- InChIKey
QNEWVOYCROIYKG-UHFFFAOYSA-N- Molecular formula
- C7H6N2OS
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.02008399
Names & identifiers
- Preferred name
- 2-Mercapto-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
- IUPAC
- 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile
Names & synonyms
93272-85-62-mercapto-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrileDTXSID50358725RefChem:262395DTXCID803097806-Hydroxy-4-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyridine-3-carbonitrileMLS000776935CHEMBL1484194SCHEMBL20339968HMS1783N116-hydroxy-4-methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
Show more names
AKOS003682685SB85026SMR000413333ST071174DB-008819EN300-112575-cyano-6-mercapto-4-methylpyridin-2(1h)-one6-hydroxy-4-methyl-3-cyanopyridin-2[1h]thione
Database identifiers
- CAS
93272-85-6- PubChem CID
- 911684
- DTXSID
DTXSID50358725- ChEMBL
CHEMBL1484194
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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