Basic information
- CAS
31936-96-6- Standard SMILES
CC(=O)Oc1c2sccc2cc2ccsc12- InChIKey
XAEOLNAXYRXPTI-UHFFFAOYSA-N- Molecular formula
- C12H8O2S2
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 247.99657184
Names & identifiers
- Preferred name
- Benzo[1,2-b:5,4-b']bisthiophen-8-yl acetate
- IUPAC
- thieno[3,2-f][1]benzothiol-8-yl acetate
Names & synonyms
31936-96-6benzo[1,2-b:5,4-b']bisthiophen-8-yl acetateNSC149715DTXSID60302214NSC-149715
Database identifiers
- CAS
31936-96-6- PubChem CID
- 288503
- DTXSID
DTXSID60302214
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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