Methyl 1-chlorothieno[2,3-b][1]benzothiole-2-carboxylate
Basic information
- CAS
887579-70-6- Standard SMILES
COC(=O)c1sc2sc3ccccc3c2c1Cl- InChIKey
YBXTUSBKFCAABM-UHFFFAOYSA-N- Molecular formula
- C12H7ClO2S2
- Average molar mass
- 282.8 g/mol
- Monoisotopic mass
- 281.9575995
Names & identifiers
- Preferred name
- Methyl 1-chlorothieno[2,3-b][1]benzothiole-2-carboxylate
- IUPAC
- methyl 1-chlorothieno[2,3-b][1]benzothiole-2-carboxylate
Names & synonyms
887579-70-6methyl 3-chlorothieno[2,3-b][1]benzothiophene-2-carboxylatemethyl 1-chlorothieno[2,3-b][1]benzothiole-2-carboxylateBenzo[b]thieno[3,2-d]thiophene-2-carboxylic acid, 3-chloro-, methyl esterDTXSID301148422AM-944/40947771
Database identifiers
- CAS
887579-70-6- PubChem CID
- 819804
- DTXSID
DTXSID301148422
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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