(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one

C10H7NOS2 — CID 1273209

IUPAC(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccccc1
InChIInChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6+
InChIKeyOONWCXLYKDWKOU-SOFGYWHQSA-N
MW221.31 g/mol
LogP2.18
Rot. Bonds1

About (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1273209) has the molecular formula C10H7NOS2 and a molecular weight of 221.31 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1273209
Molecular FormulaC10H7NOS2
Molecular Weight221.31 g/mol
Exact Mass221.00
IUPAC Name(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccccc1
InChIInChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6+
InChIKeyOONWCXLYKDWKOU-SOFGYWHQSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1273209) is (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is OONWCXLYKDWKOU-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6+.
What are the key properties of (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 221.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1273209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).