Basic information
- Standard SMILES
COC(=O)CCC(=C1SCCCS1)c1ccc(Oc2ccccc2)cc1- InChIKey
CIHXPTGEHLHZJV-UHFFFAOYSA-N- Molecular formula
- C21H22O3S2
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)-butyrate
- IUPAC
- methyl 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoate
Names & synonyms
SCHEMBL9664736CIHXPTGEHLHZJV-UHFFFAOYSA-NMethyl 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)-butyrate
Database identifiers
- PubChem CID
- 14674064
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
3 records
Compound notes
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