Basic information
- CAS
197588-27-5- Standard SMILES
CSc1cccc2c(-c3ccccc3)c(-c3ccccc3)oc12- InChIKey
FLCYRKYDBBSTBR-UHFFFAOYSA-N- Molecular formula
- C21H16OS
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.0921863
Names & identifiers
- Preferred name
- 2,3-Diphenyl-7-methylthiobenzofuran
- IUPAC
- 7-methylsulfanyl-2,3-diphenyl-1-benzofuran
- English name
- 2,3-Diphenyl-7-methylthiobenzofuran
- Molecular formula
- C21H16OS
- Molecular weight
- 316.42
Names & synonyms
2,3-Diphenyl-7-methylthiobenzofuran197588-27-5DTXSID00347982RefChem:245129DTXCID60299054FLCYRKYDBBSTBR-UHFFFAOYSA-N7-methylsulfanyl-2,3-diphenyl-1-benzofuran7-(Methylsulfanyl)-2,3-diphenyl-1-benzofuran7-(Methylsulfanyl)-2,3-diphenyl-1-benzofuran #Benzofuran, 7-(methylthio)-2,3-diphenyl-
Database identifiers
- CAS
197588-27-5- PubChem CID
- 628994
- DTXSID
DTXSID00347982
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 457.3 · 457.3±33.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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