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

C5H9NOS2 — CID 119096840

IUPAC4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1(C)O
InChIInChI=1S/C5H9NOS2/c1-5(7)3-9-4(8)6(5)2/h7H,3H2,1-2H3
InChIKeyMZARNLOCKCGMOV-UHFFFAOYSA-N
MW163.27 g/mol
LogP0.66
Rot. Bonds

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

4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione (PubChem CID 119096840) has the molecular formula C5H9NOS2 and a molecular weight of 163.27 g/mol. Its IUPAC name is 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione
PubChem CID119096840
Molecular FormulaC5H9NOS2
Molecular Weight163.27 g/mol
Exact Mass163.01
IUPAC Name4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1(C)O
InChIInChI=1S/C5H9NOS2/c1-5(7)3-9-4(8)6(5)2/h7H,3H2,1-2H3
InChIKeyMZARNLOCKCGMOV-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Thiazolidinethione, 4-hydroxy-3,4,5,5-tetramethyl-
CID 519734
4-Ethyl-4-hydroxy-3,5-dimethyl-1,3-thiazolidine-2-thione
CID 21816034
4-Hydroxy-4-methyl-3-propan-2-yl-1,3-thiazolidine-2-thione
CID 21816035
2-(1,3-Thiazolidin-3-yl)propan-2-ol
CID 142000311

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione (CID 119096840) is 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione is CN1C(=S)SCC1(C)O.
What is the InChIKey of 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione?
The InChIKey is MZARNLOCKCGMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS2/c1-5(7)3-9-4(8)6(5)2/h7H,3H2,1-2H3.
What are the key properties of 4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione?
4-hydroxy-3,4-dimethyl-1,3-thiazolidine-2-thione has a molecular weight of 163.27 g/mol, XLogP of 0.66, 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-dimethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 119096840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).