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23522-20-5

23522-20-5 | 4-Thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-

CAS No: 23522-20-5 Catalog No: AG002NK5 MDL No:MFCD00087302

Product Description

Catalog Number:
AG002NK5
Chemical Name:
4-Thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-
CAS Number:
23522-20-5
Molecular Formula:
C13H15NO3S2
Molecular Weight:
297.3931
MDL Number:
MFCD00087302
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NO3S2/c1-16-10-4-3-9(7-11(10)17-2)5-6-14-12(15)8-19-13(14)18/h3-4,7H,5-6,8H2,1-2H3
InChI Key:
LZSZXGHWVPFNKT-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2C(=S)SCC2=O)ccc1OC
NSC Number:
150548

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.049g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.387g/mol
Monoisotopic Mass:
297.049g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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

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