3-Methylthieno[3,2-b]thiophene-2-carboxylic acid
Basic information
- CAS
6448-54-0- Standard SMILES
Cc1c(C(=O)O)sc2ccsc12- InChIKey
IBDGTYDGJDZXII-UHFFFAOYSA-N- Molecular formula
- C8H6O2S2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 197.98092178
Names & identifiers
- Preferred name
- 3-Methylthieno[3,2-b]thiophene-2-carboxylic acid
- IUPAC
- 6-methylthieno[3,2-b]thiophene-5-carboxylic acid
Names & synonyms
3-methylthieno[3,2-b]thiophene-2-carboxylic acid1901-41-36448-54-06-methylthieno[3,2-b]thiophene-5-carboxylic acidSCHEMBL406245DTXSID70358520IBDGTYDGJDZXII-UHFFFAOYSA-NAKOS022645944NCGC00341527-01DB-090302CS-0247818EN300-37412
Show more names
G445293-methylthieno[3,2-b]thiophene-2-carboxylicacidAB00995189-01AB00995189-03AI-942/133311233-Methyl-thieno[3,2-b]thiophene-2-carboxylic acidZ381404102
Database identifiers
- CAS
6448-54-0- PubChem CID
- 901434
- DTXSID
DTXSID70358520
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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