4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione

C7H13NOS2 — CID 519734

IUPAC4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SC(C)(C)C1(C)O
InChIInChI=1S/C7H13NOS2/c1-6(2)7(3,9)8(4)5(10)11-6/h9H,1-4H3
InChIKeyZRDSOLBWCODEJO-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.44
Rot. Bonds

About 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione

4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione (PubChem CID 519734) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione
PubChem CID519734
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SC(C)(C)C1(C)O
InChIInChI=1S/C7H13NOS2/c1-6(2)7(3,9)8(4)5(10)11-6/h9H,1-4H3
InChIKeyZRDSOLBWCODEJO-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione (CID 519734) is 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione is CN1C(=S)SC(C)(C)C1(C)O.
What is the InChIKey of 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
The InChIKey is ZRDSOLBWCODEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-6(2)7(3,9)8(4)5(10)11-6/h9H,1-4H3.
What are the key properties of 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione has a molecular weight of 191.32 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4,5,5-tetramethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 519734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).