2,2-dithiophen-2-ylacetic acid

C10H8O2S2 — CID 20443

IUPAC2,2-dithiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)c1cccs1
InChIInChI=1S/C10H8O2S2/c11-10(12)9(7-3-1-5-13-7)8-4-2-6-14-8/h1-6,9H,(H,11,12)
InChIKeyXOFMKTIZCDSXFR-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.03
Rot. Bonds3

About 2,2-dithiophen-2-ylacetic acid

2,2-dithiophen-2-ylacetic acid (PubChem CID 20443) has the molecular formula C10H8O2S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,2-dithiophen-2-ylacetic acid.

Molecular Properties

Compound Name2,2-dithiophen-2-ylacetic acid
PubChem CID20443
Molecular FormulaC10H8O2S2
Molecular Weight224.31 g/mol
Exact Mass224.00
IUPAC Name2,2-dithiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)c1cccs1
InChIInChI=1S/C10H8O2S2/c11-10(12)9(7-3-1-5-13-7)8-4-2-6-14-8/h1-6,9H,(H,11,12)
InChIKeyXOFMKTIZCDSXFR-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dithiophen-2-ylacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

Methyl alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetate
CID 11414137
2-Hydroxy-2,2-bis(2-thienyl) acetic acid
CID 12723754
1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid
CID 820724
1-(Thiophen-2-yl)cyclopentane-1-carboxylic acid
CID 23294886
Atliprofen
CID 13773531
6-[5-(3-Phenylpropyl)thiophen-2-yl]sulfanylhexanoic acid
CID 15667441
alpha-Methyl-2-thiopheneacetic acid
CID 3016922
2-(4-(3-Methyl-2-thienyl)phenyl)propionic acid
CID 127523
Mtppa
CID 12769847
2,2'-(5-(Thiophen-2-Yl)-1,3-Phenylene)diacetic Acid
CID 118797900
2-[5-(Thiophene-2-carbonyl)thiophen-2-yl]acetic acid
CID 658068
2-(4-Thiophen-2-ylphenyl)propanoic acid
CID 11241755

Frequently Asked Questions

What is the IUPAC name of 2,2-dithiophen-2-ylacetic acid?
The IUPAC name of 2,2-dithiophen-2-ylacetic acid (CID 20443) is 2,2-dithiophen-2-ylacetic acid.
What is the SMILES notation for 2,2-dithiophen-2-ylacetic acid?
The canonical SMILES for 2,2-dithiophen-2-ylacetic acid is O=C(O)C(c1cccs1)c1cccs1.
What is the InChIKey of 2,2-dithiophen-2-ylacetic acid?
The InChIKey is XOFMKTIZCDSXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S2/c11-10(12)9(7-3-1-5-13-7)8-4-2-6-14-8/h1-6,9H,(H,11,12).
What are the key properties of 2,2-dithiophen-2-ylacetic acid?
2,2-dithiophen-2-ylacetic acid has a molecular weight of 224.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dithiophen-2-ylacetic acid is sourced from PubChem (CID 20443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).