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

C5H9NOS2 — CID 122379572

IUPAC3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione
SMILESCCN1C(=S)SCC1O
InChIInChI=1S/C5H9NOS2/c1-2-6-4(7)3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyKDJWADFMHVIZSV-UHFFFAOYSA-N
MW163.27 g/mol
LogP0.66
Rot. Bonds1

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

3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione (PubChem CID 122379572) has the molecular formula C5H9NOS2 and a molecular weight of 163.27 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione
PubChem CID122379572
Molecular FormulaC5H9NOS2
Molecular Weight163.27 g/mol
Exact Mass163.01
IUPAC Name3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione
SMILESCCN1C(=S)SCC1O
InChIInChI=1S/C5H9NOS2/c1-2-6-4(7)3-9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyKDJWADFMHVIZSV-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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Related Compounds

3-(2-Hydroxyethyl)-1,3-thiazolidine-2-thione
CID 232324
2-Hydroxyethyl diethylcarbamodithioate
CID 220691
2-Thiazolidinethione, 3-(hydroxymethyl)-
CID 11252098
3-Thiazolidineethanol
CID 13743632
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648599
(3-Methyl-1,3-thiazolidin-2-yl)methanol
CID 20699545
3-(3-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 21324770
2-Hydroxyethyl pyrrolidine-1-carbodithioate
CID 71677633
3-(1-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 88738214
3-(1-Methoxypropyl)-1,3-thiazolidine-2-thione
CID 88738462
3-(1-Hydroxyethyl)-1,3-thiazolidine-2-thione
CID 88741845
3-(1-Methoxyethyl)-1,3-thiazolidine-2-thione
CID 88741880

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione?
The IUPAC name of 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione (CID 122379572) is 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione is CCN1C(=S)SCC1O.
What is the InChIKey of 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione?
The InChIKey is KDJWADFMHVIZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS2/c1-2-6-4(7)3-9-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 3-ethyl-4-hydroxy-1,3-thiazolidine-2-thione?
3-ethyl-4-hydroxy-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-ethyl-4-hydroxy-1,3-thiazolidine-2-thione is sourced from PubChem (CID 122379572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).