6-methyl-4-(4-methylphenyl)-2-phenyl-4H-thiochromen-3-ol
Basic information
- CAS
7596-22-7- Standard SMILES
Cc1ccc(C2C(O)=C(c3ccccc3)Sc3ccc(C)cc32)cc1- InChIKey
FNZJQGAFOWUXBH-UHFFFAOYSA-N- Molecular formula
- C23H20OS
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.12348643
Names & identifiers
- Preferred name
- 6-methyl-4-(4-methylphenyl)-2-phenyl-4H-thiochromen-3-ol
- IUPAC
- 6-methyl-4-(4-methylphenyl)-2-phenyl-4H-thiochromen-3-ol
Names & synonyms
7596-22-76-methyl-4-(4-methylphenyl)-2-phenyl-4H-thiochromen-3-olNSC405864DTXSID10324148NSC-4058646-Methyl-4-(4-methylphenyl)-2-phenyl-4H-1-benzothiopyran-3-ol
Database identifiers
- CAS
7596-22-7- PubChem CID
- 347284
- DTXSID
DTXSID10324148
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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