3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C6H9NO2S2 — CID 122707196

IUPAC3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCO
InChIInChI=1S/C6H9NO2S2/c8-3-1-2-7-5(9)4-11-6(7)10/h8H,1-4H2
InChIKeyQGFSYZBWYAIZDM-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.23
Rot. Bonds3

About 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 122707196) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID122707196
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCO
InChIInChI=1S/C6H9NO2S2/c8-3-1-2-7-5(9)4-11-6(7)10/h8H,1-4H2
InChIKeyQGFSYZBWYAIZDM-UHFFFAOYSA-N
XLogP0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 122707196) is 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QGFSYZBWYAIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c8-3-1-2-7-5(9)4-11-6(7)10/h8H,1-4H2.
What are the key properties of 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 191.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 122707196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).