(2R,6R)-2,6-bis(4-methoxyphenyl)thian-4-one
Basic information
- CAS
70071-29-3- Standard SMILES
COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)S2)cc1- InChIKey
ICRGSDQNZOTTTN-RTBURBONSA-N- Molecular formula
- C19H20O3S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.11331567
Names & identifiers
- Preferred name
- (2R,6R)-2,6-bis(4-methoxyphenyl)thian-4-one
- IUPAC
- (2R,6R)-2,6-bis(4-methoxyphenyl)thian-4-one
Names & synonyms
(2R,6R)-2,6-bis(4-methoxyphenyl)thian-4-oneZINC0022522370071-29-3SCHEMBL11971253DTXSID20353929
Database identifiers
- CAS
70071-29-3- PubChem CID
- 759192
- DTXSID
DTXSID20353929
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
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