3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one

C9H7NOS2 — CID 1214120

IUPAC3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1SCC(=S)N1c1ccccc1
InChIInChI=1S/C9H7NOS2/c11-9-10(8(12)6-13-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRJPIZUSIGBWNHB-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.69
Rot. Bonds1

About 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one

3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 1214120) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID1214120
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC Name3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1SCC(=S)N1c1ccccc1
InChIInChI=1S/C9H7NOS2/c11-9-10(8(12)6-13-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRJPIZUSIGBWNHB-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_F(1)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one (CID 1214120) is 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1SCC(=S)N1c1ccccc1.
What is the InChIKey of 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is RJPIZUSIGBWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c11-9-10(8(12)6-13-9)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 209.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 1214120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).