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

C4H7NO2S2 — CID 14535489

IUPAC2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(S)N1
InChIInChI=1S/C4H7NO2S2/c6-3(7)2-1-9-4(8)5-2/h2,4-5,8H,1H2,(H,6,7)
InChIKeyFHTRVJPOBRWXTO-UHFFFAOYSA-N
MW165.24 g/mol
LogP-0.01
Rot. Bonds1

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

2-sulfanyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 14535489) has the molecular formula C4H7NO2S2 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID14535489
Molecular FormulaC4H7NO2S2
Molecular Weight165.24 g/mol
Exact Mass164.99
IUPAC Name2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(S)N1
InChIInChI=1S/C4H7NO2S2/c6-3(7)2-1-9-4(8)5-2/h2,4-5,8H,1H2,(H,6,7)
InChIKeyFHTRVJPOBRWXTO-UHFFFAOYSA-N
XLogP-0.01
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid (CID 14535489) is 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(S)N1.
What is the InChIKey of 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FHTRVJPOBRWXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S2/c6-3(7)2-1-9-4(8)5-2/h2,4-5,8H,1H2,(H,6,7).
What are the key properties of 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid?
2-sulfanyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 165.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 14535489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).