2-[1-(1,3-Dithian-2-ylidene)-2-phenylethyl]pyridine
Basic information
- CAS
89863-86-5- Standard SMILES
c1ccc(CC(=C2SCCCS2)c2ccccn2)cc1- InChIKey
NSEFTTRTTZOWRO-UHFFFAOYSA-N- Molecular formula
- C17H17NS2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.08024189
Names & identifiers
- Preferred name
- 2-[1-(1,3-Dithian-2-ylidene)-2-phenylethyl]pyridine
- IUPAC
- 2-[1-(1,3-dithian-2-ylidene)-2-phenylethyl]pyridine
Names & synonyms
89863-86-52-[1-(1,3-Dithian-2-ylidene)-2-phenylethyl]pyridineSCHEMBL10367919DTXSID50535736
Database identifiers
- CAS
89863-86-5- PubChem CID
- 13302001
- DTXSID
DTXSID50535736
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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