4-Anilino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione
Basic information
- CAS
58913-46-5- Standard SMILES
CC1(C)CC(Nc2ccccc2)=CC(=S)N1- InChIKey
SUWSOFWVJLLUMN-UHFFFAOYSA-N- Molecular formula
- C13H16N2S
- Average molar mass
- 232.35 g/mol
- Monoisotopic mass
- 232.10341969
Names & identifiers
- Preferred name
- 4-Anilino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione
- IUPAC
- 4-anilino-2,2-dimethyl-1,3-dihydropyridine-6-thione
Names & synonyms
58913-46-5DTXSID003938284-Anilino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thioneRefChem:290160DTXCID50344688NSC351158NSC-3511586,6-dimethyl-4-(phenylamino)-5,6-dihydropyridine-2(1h)-thione
Database identifiers
- CAS
58913-46-5- PubChem CID
- 3579285
- DTXSID
DTXSID00393828
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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