2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid

C4H5NO2S2 — CID 54394217

IUPAC2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid
SMILESO=C(O)N1CCSC1=S
InChIInChI=1S/C4H5NO2S2/c6-3(7)5-1-2-9-4(5)8/h1-2H2,(H,6,7)
InChIKeyVIUFJYVWICFMKU-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.00
Rot. Bonds

About 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid

2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid (PubChem CID 54394217) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid
PubChem CID54394217
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid
SMILESO=C(O)N1CCSC1=S
InChIInChI=1S/C4H5NO2S2/c6-3(7)5-1-2-9-4(5)8/h1-2H2,(H,6,7)
InChIKeyVIUFJYVWICFMKU-UHFFFAOYSA-N
XLogP1.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-sulfanylidene-1,3-thiazolidine-3-carboxylic 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-sulfanylidene-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid (CID 54394217) is 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid is O=C(O)N1CCSC1=S.
What is the InChIKey of 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is VIUFJYVWICFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S2/c6-3(7)5-1-2-9-4(5)8/h1-2H2,(H,6,7).
What are the key properties of 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid?
2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 163.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 54394217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).