2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid

C14H11NO2S2 — CID 674281

IUPAC2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S2/c16-12(17)8-19-14-9-4-1-2-5-10(9)15-13(14)11-6-3-7-18-11/h1-7,15H,8H2,(H,16,17)
InChIKeyJKGNHXYZSCQLCL-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.07
Rot. Bonds4

About 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid

2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid (PubChem CID 674281) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
PubChem CID674281
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC Name2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S2/c16-12(17)8-19-14-9-4-1-2-5-10(9)15-13(14)11-6-3-7-18-11/h1-7,15H,8H2,(H,16,17)
InChIKeyJKGNHXYZSCQLCL-UHFFFAOYSA-N
XLogP4.07
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid (CID 674281) is 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid is O=C(O)CSc1c(-c2cccs2)[nH]c2ccccc12.
What is the InChIKey of 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid?
The InChIKey is JKGNHXYZSCQLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c16-12(17)8-19-14-9-4-1-2-5-10(9)15-13(14)11-6-3-7-18-11/h1-7,15H,8H2,(H,16,17).
What are the key properties of 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid?
2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid is sourced from PubChem (CID 674281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).