Basic information
- CAS
65429-82-5- Standard SMILES
c1ccc2c(c1)Oc1ccccc1C2=C1Sc2ccccc2S1- InChIKey
WJJBRTZCRSWBPI-UHFFFAOYSA-N- Molecular formula
- C20H12OS2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.03295735
Names & identifiers
- Preferred name
- 9-(2H-1,3-Benzodithiol-2-ylidene)-9H-xanthene
- IUPAC
- 9-(1,3-benzodithiol-2-ylidene)xanthene
Names & synonyms
65429-82-59-(2H-1,3-BENZODITHIOL-2-YLIDENE)-9H-XANTHENEDTXSID50495164
Database identifiers
- CAS
65429-82-5- PubChem CID
- 12377069
- DTXSID
DTXSID50495164
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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