2-thiophen-2-ylselanylacetic acid

C6H6O2SSe — CID 88744759

IUPAC2-thiophen-2-ylselanylacetic acid
SMILESO=C(O)C[Se]c1cccs1
InChIInChI=1S/C6H6O2SSe/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H,7,8)
InChIKeyJIRHCBPOMLXHEF-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.58
Rot. Bonds3

About 2-thiophen-2-ylselanylacetic acid

2-thiophen-2-ylselanylacetic acid (PubChem CID 88744759) has the molecular formula C6H6O2SSe and a molecular weight of 221.14 g/mol. Its IUPAC name is 2-thiophen-2-ylselanylacetic acid.

Molecular Properties

Compound Name2-thiophen-2-ylselanylacetic acid
PubChem CID88744759
Molecular FormulaC6H6O2SSe
Molecular Weight221.14 g/mol
Exact Mass221.93
IUPAC Name2-thiophen-2-ylselanylacetic acid
SMILESO=C(O)C[Se]c1cccs1
InChIInChI=1S/C6H6O2SSe/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H,7,8)
InChIKeyJIRHCBPOMLXHEF-UHFFFAOYSA-N
XLogP0.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-thiophen-2-ylselanylacetic 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

benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
acetic acid;2-bromothiophene
CID 175516450
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
2-(1-methoxyethoxymethylselanyl)thiophene
CID 20721868
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
2-aminoacetic acid;thiophene-2-carbaldehyde
CID 23295605
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylselanylacetic acid?
The IUPAC name of 2-thiophen-2-ylselanylacetic acid (CID 88744759) is 2-thiophen-2-ylselanylacetic acid.
What is the SMILES notation for 2-thiophen-2-ylselanylacetic acid?
The canonical SMILES for 2-thiophen-2-ylselanylacetic acid is O=C(O)C[Se]c1cccs1.
What is the InChIKey of 2-thiophen-2-ylselanylacetic acid?
The InChIKey is JIRHCBPOMLXHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2SSe/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H,7,8).
What are the key properties of 2-thiophen-2-ylselanylacetic acid?
2-thiophen-2-ylselanylacetic acid has a molecular weight of 221.14 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylselanylacetic acid is sourced from PubChem (CID 88744759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).