(2-thien-2-yl-1H-indol-3-yl)acetic acid

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Basic information

CAS: 868238-06-6
Standard SMILES: O=C(O)Cc1c(-c2cccs2)[nH]c2ccccc12
InChIKey: XIOJJFZMRZMUDZ-UHFFFAOYSA-N
Molecular formula: C14H11NO2S
Average molar mass: 257.31 g/mol
Monoisotopic mass: 257.05104977

Names & identifiers

Preferred name: (2-thien-2-yl-1H-indol-3-yl)acetic acid
IUPAC: 2-(2-thiophen-2-yl-1H-indol-3-yl)acetic acid

Names & synonyms

868238-06-62-[2-(thiophen-2-yl)-1H-indol-3-yl]acetic acid(2-thien-2-yl-1H-indol-3-yl)acetic acidDTXSID901286715AKOS0001183562-(2-Thienyl)-1H-indole-3-acetic acidEN300-142282-[2-(thiophen-2-yl)-1H-indol-3-yl]aceticacid[2-(THIOPHEN-2-YL)-1H-INDOL-3-YL]ACETIC ACIDZ104341284

Database identifiers

CAS: 868238-06-6
PubChem CID: 7129658
DTXSID: DTXSID901286715

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 81.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 323

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Compound notes

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