3-[1-(1,3-Dithian-2-ylidene)ethyl]phenol
Basic information
- CAS
89863-93-4- Standard SMILES
CC(=C1SCCCS1)c1cccc(O)c1- InChIKey
OHXSVSKZTFGOSZ-UHFFFAOYSA-N- Molecular formula
- C12H14OS2
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.04860741
Names & identifiers
- Preferred name
- 3-[1-(1,3-Dithian-2-ylidene)ethyl]phenol
- IUPAC
- 3-[1-(1,3-dithian-2-ylidene)ethyl]phenol
Names & synonyms
3-[1-(1,3-Dithian-2-ylidene)ethyl]phenol89863-93-4SCHEMBL10370483DTXSID30535739
Database identifiers
- CAS
89863-93-4- PubChem CID
- 13302007
- DTXSID
DTXSID30535739
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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