4-hydroxy-3-methyl-1,3-thiazolidine-2-thione

C4H7NOS2 — CID 130122041

IUPAC4-hydroxy-3-methyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1O
InChIInChI=1S/C4H7NOS2/c1-5-3(6)2-8-4(5)7/h3,6H,2H2,1H3
InChIKeyLBRPRFBIIKBDEN-UHFFFAOYSA-N
MW149.24 g/mol
LogP0.27
Rot. Bonds

About 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione

4-hydroxy-3-methyl-1,3-thiazolidine-2-thione (PubChem CID 130122041) has the molecular formula C4H7NOS2 and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-methyl-1,3-thiazolidine-2-thione
PubChem CID130122041
Molecular FormulaC4H7NOS2
Molecular Weight149.24 g/mol
Exact Mass149.00
IUPAC Name4-hydroxy-3-methyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1O
InChIInChI=1S/C4H7NOS2/c1-5-3(6)2-8-4(5)7/h3,6H,2H2,1H3
InChIKeyLBRPRFBIIKBDEN-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione 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 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione (CID 130122041) is 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione is CN1C(=S)SCC1O.
What is the InChIKey of 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione?
The InChIKey is LBRPRFBIIKBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS2/c1-5-3(6)2-8-4(5)7/h3,6H,2H2,1H3.
What are the key properties of 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione?
4-hydroxy-3-methyl-1,3-thiazolidine-2-thione has a molecular weight of 149.24 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 130122041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).