(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

C8H5NOS3 — CID 1238529

IUPAC(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccsc1
InChIInChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)3-5-1-2-12-4-5/h1-4H,(H,9,10,11)/b6-3-
InChIKeyXXEBTKBRSLSLSF-UTCJRWHESA-N
MW227.34 g/mol
LogP2.24
Rot. Bonds1

About (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1238529) has the molecular formula C8H5NOS3 and a molecular weight of 227.34 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1238529
Molecular FormulaC8H5NOS3
Molecular Weight227.34 g/mol
Exact Mass226.95
IUPAC Name(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccsc1
InChIInChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)3-5-1-2-12-4-5/h1-4H,(H,9,10,11)/b6-3-
InChIKeyXXEBTKBRSLSLSF-UTCJRWHESA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 1238529) is (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccsc1.
What is the InChIKey of (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is XXEBTKBRSLSLSF-UTCJRWHESA-N. The full InChI is InChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)3-5-1-2-12-4-5/h1-4H,(H,9,10,11)/b6-3-.
What are the key properties of (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 227.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1238529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).