Basic information
- CAS
65714-03-6- Standard SMILES
COc1ccc(-c2sc(=S)c(Br)c(-c3ccccc3)c2-c2ccccc2)cc1- InChIKey
TUGPWZOUVJZFNW-UHFFFAOYSA-N- Molecular formula
- C24H17BrOS2
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 463.99042
Names & identifiers
- Preferred name
- 3-Bromo-6-(4-methoxyphenyl)-4,5-diphenylthiopyran-2-thione
- IUPAC
- 3-bromo-6-(4-methoxyphenyl)-4,5-diphenylthiopyran-2-thione
Names & synonyms
65714-03-6NSC3035833-bromo-6-(4-methoxyphenyl)-4,5-diphenylthiopyran-2-thioneDTXSID20316453NSC-303583DS-0133783-Bromo-6-(4-methoxyphenyl)-4,5-diphenyl-2H-thiopyran-2-thione2H-THIOPYRAN-2-THIONE,3-BROMO-6-(4-METHOXYPHENYL)-4,5-DIPHENYL-
Database identifiers
- CAS
65714-03-6- PubChem CID
- 327656
- DTXSID
DTXSID20316453
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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