Basic information
- Standard SMILES
CCOC(=O)c1cc2c(s1)-c1c(SC)sc(C(=O)OCC)c1CC2- InChIKey
CFUGKEJOTABEJZ-UHFFFAOYSA-N- Molecular formula
- C17H18O4S3
- Average molar mass
- 382.5 g/mol
Names & identifiers
- Preferred name
- Diethyl 4,5-dihydro-8-methylthiobenzo[2,1-c:3,4-b']dithiophene-2,6-dicarboxylate
- IUPAC
- diethyl 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1]benzothiole-2,6-dicarboxylate
Names & synonyms
SCHEMBL6994907CFUGKEJOTABEJZ-UHFFFAOYSA-Ndiethyl 4,5-dihydro-8-methylthiobenzo[2,1-c:3,4-b']dithiophene-2,6-dicarboxylate
Database identifiers
- PubChem CID
- 18388331
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
4 records
Compound notes
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