Basic information
- CAS
31936-88-6- Standard SMILES
O=C(O)c1cscc1Cc1cccs1- InChIKey
JZHLOTURPOOTRC-UHFFFAOYSA-N- Molecular formula
- C10H8O2S2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 223.99657184
Names & identifiers
- Preferred name
- 4-(2-Thienylmethyl)-3-thiophenecarboxylic acid
- IUPAC
- 4-(thiophen-2-ylmethyl)thiophene-3-carboxylic acid
Names & synonyms
4-(2-Thienylmethyl)-3-thiophenecarboxylic acid31936-88-609QC6F66RZUNII-09QC6F66RZNSC 149707NSC-149707DTXSID501857703-THIOPHENECARBOXYLIC ACID, 4-(2-THIENYLMETHYL)-RefChem:97090DTXCID90108261NSC149707MLS003106292
Show more names
NCIStruc1_000898NCIStruc2_000932CHEMBL1568083CCG-37593NCGC00014397NCI149707NCGC00014397-02NCGC00097504-01
Database identifiers
- CAS
31936-88-6- PubChem CID
- 288495
- DTXSID
DTXSID50185770- ChEMBL
CHEMBL1568083- UNII
- 09QC6F66RZ
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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