2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-
Basic information
- CAS
67686-46-8- Standard SMILES
CSC(=CC(=O)c1ccncc1)SC- InChIKey
YBLUFQYBOJLHAL-UHFFFAOYSA-N- Molecular formula
- C10H11NOS2
- Average molar mass
- 225.3 g/mol
- Monoisotopic mass
- 225.02820632
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-
- IUPAC
- 3,3-bis(methylsulfanyl)-1-pyridin-4-ylprop-2-en-1-one
Names & synonyms
67686-46-82-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-DTXSID30384562RefChem:266140DTXCID00335586HMS1435E05Maybridge3_001501SCHEMBL98480643,3-BIS(METHYLSULFANYL)-1-(PYRIDIN-4-YL)PROP-2-EN-1-ONECCG-47432IDI1_012888SR-01000637046
Show more names
SR-01000637046-1SR-01000637046-2
Database identifiers
- CAS
67686-46-8- PubChem CID
- 2807791
- DTXSID
DTXSID30384562
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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