3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione

C5H9NOS2 — CID 88741845

IUPAC3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione
SMILESCC(O)N1CCSC1=S
InChIInChI=1S/C5H9NOS2/c1-4(7)6-2-3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyHTEKBLHPMNIJMO-UHFFFAOYSA-N
MW163.27 g/mol
LogP0.66
Rot. Bonds1

About 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione

3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione (PubChem CID 88741845) has the molecular formula C5H9NOS2 and a molecular weight of 163.27 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione
PubChem CID88741845
Molecular FormulaC5H9NOS2
Molecular Weight163.27 g/mol
Exact Mass163.01
IUPAC Name3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione
SMILESCC(O)N1CCSC1=S
InChIInChI=1S/C5H9NOS2/c1-4(7)6-2-3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyHTEKBLHPMNIJMO-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione (CID 88741845) is 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione is CC(O)N1CCSC1=S.
What is the InChIKey of 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione?
The InChIKey is HTEKBLHPMNIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS2/c1-4(7)6-2-3-9-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione?
3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione has a molecular weight of 163.27 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88741845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).