(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C8H4ClNOS3 — CID 17376350

IUPAC(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNOS3/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+
InChIKeyCSUVQSLUHHQEMY-HWKANZROSA-N
MW261.78 g/mol
LogP2.89
Rot. Bonds1

About (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 17376350) has the molecular formula C8H4ClNOS3 and a molecular weight of 261.78 g/mol. Its IUPAC name is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID17376350
Molecular FormulaC8H4ClNOS3
Molecular Weight261.78 g/mol
Exact Mass260.91
IUPAC Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNOS3/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+
InChIKeyCSUVQSLUHHQEMY-HWKANZROSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.89
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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Related Compounds

(5Z)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241133
5-(2-Thienylmethylene)rhodanine
CID 2796945
(5E)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241132
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1257539
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1813162
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 5896341
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 56949900
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 56949902
(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide
CID 141094454
(5E)-2-mercapto-5-[(5-methyl-2-thienyl)methylene]-1,3-thiazol-4(5H)-one
CID 1226951
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 1226952
C9H7Nos3
CID 2872215

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 17376350) is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1ccc(Cl)s1.
What is the InChIKey of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CSUVQSLUHHQEMY-HWKANZROSA-N. The full InChI is InChI=1S/C8H4ClNOS3/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+.
What are the key properties of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 261.78 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 17376350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).