(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

C4H5NO2S2 — CID 3035791

IUPAC(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(=S)N1
InChIInChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKeySQUOCHQOQMZGQP-REOHCLBHSA-N
MW163.22 g/mol
LogP0.06
Rot. Bonds1

About (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3035791) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
PubChem CID3035791
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(=S)N1
InChIInChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKeySQUOCHQOQMZGQP-REOHCLBHSA-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 (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid (CID 3035791) is (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(=S)N1.
What is the InChIKey of (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SQUOCHQOQMZGQP-REOHCLBHSA-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)/t2-/m0/s1.
What are the key properties of (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid?
(4R)-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 (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3035791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).