Home Other Building Blocks 2-(3-acetylphenyl)-1,2-thiazolidine-1,1-dione

2-(3-acetylphenyl)-1,2-thiazolidine-1,1-dione

CAS No.:
1225595-21-0
Catalog Number:
AG01AKHA
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
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Product Description
Catalog Number:
AG01AKHA
Chemical Name:
2-(3-acetylphenyl)-1,2-thiazolidine-1,1-dione
CAS Number:
1225595-21-0
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD16320758
IUPAC Name:
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone
InChI:
InChI=1S/C11H13NO3S/c1-9(13)10-4-2-5-11(8-10)12-6-3-7-16(12,14)15/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
MHESZAMGLKXOGD-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)N1CCCS1(=O)=O
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties