3-(thiophen-2-yl)-1H-indole-2-carboxylic acid
Basic information
- CAS
1220027-01-9- Standard SMILES
O=C(O)c1[nH]c2ccccc2c1-c1cccs1- InChIKey
DAWOUIGHDXULSR-UHFFFAOYSA-N- Molecular formula
- C13H9NO2S
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.0353997
Names & identifiers
- Preferred name
- 3-(thiophen-2-yl)-1H-indole-2-carboxylic acid
- IUPAC
- 3-thiophen-2-yl-1H-indole-2-carboxylic acid
Names & synonyms
1220027-01-93-(thiophen-2-yl)-1H-indole-2-carboxylic acid3-(2-THIENYL)-1H-INDOLE-2-CARBOXYLIC ACID3-thiophen-2-yl-1H-indole-2-carboxylic acidSCHEMBL7593338DTXSID501272815AKOS015856613
Database identifiers
- CAS
1220027-01-9- PubChem CID
- 53409261
- DTXSID
DTXSID501272815
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…