Basic information
- CAS
31936-95-5- Standard SMILES
O=C(O)c1sccc1Cc1ccsc1- InChIKey
HTTTUEMMQSOKEC-UHFFFAOYSA-N- Molecular formula
- C10H8O2S2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 223.99657184
Names & identifiers
- Preferred name
- 3-(3-Thienylmethyl)-2-thiophenecarboxylic acid
- IUPAC
- 3-(thiophen-3-ylmethyl)thiophene-2-carboxylic acid
Names & synonyms
31936-95-53-(3-Thienylmethyl)-2-thiophenecarboxylic acidSE848FU4FIUNII-SE848FU4FINSC 149706NSC-149706DTXSID301857732-THIOPHENECARBOXYLIC ACID, 3-(3-THIENYLMETHYL)-RefChem:92349DTXCID70108264NSC1497063-[(thiophen-3-yl)methyl]thiophene-2-carboxylic acid
Show more names
3-(3-thienylmethyl)thiophene-2-carboxylic acid
Database identifiers
- CAS
31936-95-5- PubChem CID
- 288494
- DTXSID
DTXSID30185773- UNII
- SE848FU4FI
Properties
Computed structural properties
- XLogP
- 3.1
- 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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