Basic information
- CAS
31936-90-0- Standard SMILES
O=C(O)c1ccsc1Cc1cccs1- InChIKey
QPKATRSLASRXRU-UHFFFAOYSA-N- Molecular formula
- C10H8O2S2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 223.99657184
Names & identifiers
- Preferred name
- 2-(2-Thienylmethyl)-3-thiophenecarboxylic acid
- IUPAC
- 2-(thiophen-2-ylmethyl)thiophene-3-carboxylic acid
Names & synonyms
31936-90-02-(2-Thienylmethyl)-3-thiophenecarboxylic acid4J629U26DJNSC 149700UNII-4J629U26DJNSC-149700DTXSID101857713-THIOPHENECARBOXYLIC ACID, 2-(2-THIENYLMETHYL)-RefChem:84128DTXCID50108262NSC149700MLS003106291
Show more names
CHEMBL2360618SMR0018212002-(2-thienylmethyl)thiophene-3-carboxylic acid2-[(Thiophen-2-yl)methyl]thiophene-3-carboxylic acid
Database identifiers
- CAS
31936-90-0- PubChem CID
- 288488
- DTXSID
DTXSID10185771- ChEMBL
CHEMBL2360618- UNII
- 4J629U26DJ
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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