CAS 81154-17-8 | 4-Thiazolidinone, 5-[(4-methoxyphenyl)methylene]-2-thioxo-, (5Z)- | CAS Number 81154-17-8

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81154-17-8 | 4-Thiazolidinone, 5-[(4-methoxyphenyl)methylene]-2-thioxo-, (5Z)-

CAS No: 81154-17-8 Catalog No: AG005GD9 MDL No:MFCD00550026

Product Description

Catalog Number:

AG005GD9

Chemical Name:

4-Thiazolidinone, 5-[(4-methoxyphenyl)methylene]-2-thioxo-, (5Z)-

CAS Number:

81154-17-8

Molecular Formula:

C11H9NO2S2

Molecular Weight:

251.3247

MDL Number:

MFCD00550026

IUPAC Name:

5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

InChI:

InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)

InChI Key:

ORGCJYCWFZQEFX-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)/C=C/1\SC(=S)NC1=O

Properties

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.318g/mol

Monoisotopic Mass:

251.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Supramolecular structures of four (Z)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets.	Acta crystallographica. Section C, Crystal structure communications 20050801