1-Methyl-2,3-dihydropyridine-4(1H)-thione
Basic information
- CAS
116414-44-9- Standard SMILES
CN1C=CC(=S)CC1- InChIKey
YRAGEEVTDHPKDV-UHFFFAOYSA-N- Molecular formula
- C6H9NS
- Average molar mass
- 127.21 g/mol
- Monoisotopic mass
- 127.04557046
Names & identifiers
- Preferred name
- 1-Methyl-2,3-dihydropyridine-4(1H)-thione
- IUPAC
- 1-methyl-2,3-dihydropyridine-4-thione
Names & synonyms
1-Methyl-2,3-dihydropyridine-4(1H)-thione116414-44-9DTXSID20554116
Database identifiers
- CAS
116414-44-9- PubChem CID
- 14005441
- DTXSID
DTXSID20554116
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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