2-(1H-indol-3-ylsulfanyl)acetic acid

C10H9NO2S — CID 590707

IUPAC2-(1H-indol-3-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2S/c12-10(13)6-14-9-5-11-8-4-2-1-3-7(8)9/h1-5,11H,6H2,(H,12,13)
InChIKeyMVTHCDJJTYSGFW-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.34
Rot. Bonds3

About 2-(1H-indol-3-ylsulfanyl)acetic acid

2-(1H-indol-3-ylsulfanyl)acetic acid (PubChem CID 590707) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(1H-indol-3-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(1H-indol-3-ylsulfanyl)acetic acid
PubChem CID590707
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name2-(1H-indol-3-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2S/c12-10(13)6-14-9-5-11-8-4-2-1-3-7(8)9/h1-5,11H,6H2,(H,12,13)
InChIKeyMVTHCDJJTYSGFW-UHFFFAOYSA-N
XLogP2.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indol-3-ylsulfanyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylsulfanyl)acetic acid?
The IUPAC name of 2-(1H-indol-3-ylsulfanyl)acetic acid (CID 590707) is 2-(1H-indol-3-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-(1H-indol-3-ylsulfanyl)acetic acid?
The canonical SMILES for 2-(1H-indol-3-ylsulfanyl)acetic acid is O=C(O)CSc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylsulfanyl)acetic acid?
The InChIKey is MVTHCDJJTYSGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-10(13)6-14-9-5-11-8-4-2-1-3-7(8)9/h1-5,11H,6H2,(H,12,13).
What are the key properties of 2-(1H-indol-3-ylsulfanyl)acetic acid?
2-(1H-indol-3-ylsulfanyl)acetic acid has a molecular weight of 207.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylsulfanyl)acetic acid is sourced from PubChem (CID 590707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).