2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-methyl-3-nitro-
Basic information
- CAS
172469-76-0- Standard SMILES
Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2[N+](=O)[O-])c1- InChIKey
SSTLRZVPJLDOCV-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251349
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-methyl-3-nitro-
- IUPAC
- 4-(3,5-dimethylphenyl)sulfanyl-5-methyl-3-nitro-1H-pyridin-2-one
Names & synonyms
172469-76-02(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-methyl-3-nitro-CHEMBL3566745-Methyl-3-nitro-4-((3',5'-dimethylphenyl)thio)pyridin-2(1H)-one2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-5-methyl-3-nitro-5-Methyl-3-nitro-4-[(3',5'-dimethylphenyl)thio]pyridin-2(1H)-oneSCHEMBL7008607DTXSID20169289SSTLRZVPJLDOCV-UHFFFAOYSA-N4-(3,5-dimethylphenyl)sulfanyl-5-methyl-3-nitro-1H-pyridin-2-oneBDBM500296754-(3,5-Dimethyl-phenylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one
Show more names
5-methyl-3-nitro-4-(3', 5'-dimethylphenyl)thiopyridin-2(1H)-one4-[(3,5-Dimethylphenyl)sulfanyl]-5-methyl-3-nitropyridin-2(1H)-one
Database identifiers
- CAS
172469-76-0- PubChem CID
- 464574
- DTXSID
DTXSID20169289- ChEMBL
CHEMBL356674
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 483
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Related reactions
1 records
Compound notes
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