200,000+ products from a single source!
sales@angenechem.com
304459-57-2 | Butanoic acid, 4-[(4,5-dimethyl-2-thiazolyl)amino]-4-oxo-
CAS No: 304459-57-2 Catalog No: AG00305C MDL No:MFCD00971902
Product Description
Catalog Number:
AG00305C
Chemical Name:
Butanoic acid, 4-[(4,5-dimethyl-2-thiazolyl)amino]-4-oxo-
CAS Number:
304459-57-2
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD00971902
IUPAC Name:
4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C9H12N2O3S/c1-5-6(2)15-9(10-5)11-7(12)3-4-8(13)14/h3-4H2,1-2H3,(H,13,14)(H,10,11,12)
InChI Key:
JXKCUPZVQVCDTB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1sc(c(n1)C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
© 2019 Angene International Limited. All rights Reserved.