200,000+ products from a single source!
sales@angenechem.com
160579-90-8 | 2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]-
CAS No: 160579-90-8 Catalog No: AG001S1A MDL No:
Product Description
Catalog Number:
AG001S1A
Chemical Name:
2,4-Thiazolidinedione, 5-[[4-(1-methylethyl)phenyl]methylene]-
CAS Number:
160579-90-8
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H13NO2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(15)14-13(16)17-11/h3-8H,1-2H3,(H,14,15,16)
InChI Key:
GXIDNNRIWNVXTL-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C=C1SC(=O)NC1=O)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.