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591722-60-0

591722-60-0 | 3-[2-(4-Methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

CAS No: 591722-60-0 Catalog No: AG01EWKI MDL No:

Product Description

Catalog Number:
AG01EWKI
Chemical Name:
3-[2-(4-Methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CAS Number:
591722-60-0
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
IUPAC Name:
3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H13NO3S/c1-9-2-4-10(5-3-9)16-7-6-13-11(14)8-17-12(13)15/h2-5H,6-8H2,1H3
InChI Key:
NTNBDDQGXOFBFA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCCN1C(=O)CSC1=O

Properties

Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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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