Basic information
- CAS
172470-05-2- Standard SMILES
CCc1c(Sc2cc(C)cc(C)c2)cc(=O)[nH]c1C- InChIKey
RTHOWUMMDRBMHX-UHFFFAOYSA-N- Molecular formula
- C16H19NOS
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.1187354
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-
- IUPAC
- 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-1H-pyridin-2-one
Names & synonyms
172470-05-22(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-CHEMBL3419315-Ethyl-6-methyl-4-((3',5'-dimethylphenyl)thio)pyridin-2(1H)-one2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-5-ethyl-6-methyl-5-Ethyl-6-methyl-4-[(3',5'-dimethylphenyl)thio]pyridin-2(1H)-one2-Pyridinone, 4-PhS deriv.SCHEMBL7012912DTXSID901693174-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-1H-pyridin-2-oneBDBM500296784-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-1H-pyridin-2-one
Show more names
4-[(3,5-Dimethylphenyl)sulfanyl]-5-ethyl-6-methylpyridin-2(1H)-one
Database identifiers
- CAS
172470-05-2- PubChem CID
- 464602
- DTXSID
DTXSID90169317- ChEMBL
CHEMBL341931- Nikkaji
- J713.237I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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