Basic information
- CAS
62217-32-7- Standard SMILES
c1ccc(C(=C2Sc3ccccc3S2)c2ccccc2)cc1- InChIKey
UTPRRMPMHMDDCQ-UHFFFAOYSA-N- Molecular formula
- C20H14S2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.05369279
Names & identifiers
- Preferred name
- 2-(Diphenylmethylidene)-2H-1,3-benzodithiole
- IUPAC
- 2-benzhydrylidene-1,3-benzodithiole
Names & synonyms
62217-32-72-(Diphenylmethylidene)-2H-1,3-benzodithioleDTXSID10495165
Database identifiers
- CAS
62217-32-7- PubChem CID
- 12377073
- DTXSID
DTXSID10495165
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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