Basic information
- CAS
7510-93-2- Standard SMILES
CCOC1=C(c2ccccc2)Sc2ccc(C)cc2C1c1ccc(C)cc1- InChIKey
MAIHWDZDSQGRCH-UHFFFAOYSA-N- Molecular formula
- C25H24OS
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.15478656
Names & identifiers
- Preferred name
- 3-ethoxy-6-methyl-4-(4-methylphenyl)-2-phenyl-4H-thiochromene
- IUPAC
- 3-ethoxy-6-methyl-4-(4-methylphenyl)-2-phenyl-4H-thiochromene
Names & synonyms
7510-93-2NSC4058663-ethoxy-6-methyl-4-(4-methylphenyl)-2-phenyl-4H-thiochromeneDTXSID80324150NSC-4058663-Ethoxy-6-methyl-4-(4-methylphenyl)-2-phenyl-4H-1-benzothiopyran
Database identifiers
- CAS
7510-93-2- PubChem CID
- 347286
- DTXSID
DTXSID80324150
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…