Basic information
- CAS
172469-78-2- Standard SMILES
CCc1c(C)[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1- InChIKey
HRXHKHXJYOIYON-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.10381361
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-3-nitro-
- IUPAC
- 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one
Names & synonyms
Curie pyridinone172469-78-22(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-3-nitro-CHEMBL4161074-(3,5-Dimethylphenylthio)-5-ethyl-6-methyl-3-nitropyridin-2(1H)-one2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-5-ethyl-6-methyl-3-nitro-5-ethyl-6-methSCHEMBL7009670BDBM10903DTXSID901692914-PhS-3-NO2-2-Pyridine deriv.BDBM50029665
Show more names
4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one5-ethyl-6-methyl-3-nitro-4-[(3,5-dimethylphenyl)thio]pyridin-2(1H)-one4-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-3-nitro-1,2-dihydropyridin-2-one4-(3,5-Dimethylphenylthio)-5-ethyl-6-methyl-3-nitropyridin-2-ol4-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-3-nitro-pyridin-2-ol4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-3-nitro-pyridin-2-ol4-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one4-[(3,5-Dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-3-nitropyridin-2(1H)-one
Database identifiers
- CAS
172469-78-2- PubChem CID
- 464576
- DTXSID
DTXSID90169291- ChEMBL
CHEMBL416107
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…