2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

C4H5NO2S2 — CID 3034757

IUPAC2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(=S)N1
InChIInChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)
InChIKeySQUOCHQOQMZGQP-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.06
Rot. Bonds1

About 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3034757) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
PubChem CID3034757
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(=S)N1
InChIInChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)
InChIKeySQUOCHQOQMZGQP-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid (CID 3034757) is 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(=S)N1.
What is the InChIKey of 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SQUOCHQOQMZGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7).
What are the key properties of 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 163.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3034757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).