200,000+ products from a single source!
sales@angenechem.com
15881-02-4 | 4-Pyrimidinecarboxylic acid, 5-ethyl-2-(ethylthio)-1,6-dihydro-6-oxo-
CAS No: 15881-02-4 Catalog No: AG001QWN MDL No:
Product Description
Catalog Number:
AG001QWN
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-ethyl-2-(ethylthio)-1,6-dihydro-6-oxo-
CAS Number:
15881-02-4
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
IUPAC Name:
5-ethyl-2-ethylsulfanyl-6-oxo-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O3S/c1-3-5-6(8(13)14)10-9(15-4-2)11-7(5)12/h3-4H2,1-2H3,(H,13,14)(H,10,11,12)
InChI Key:
BBXJTKWMYDOQCT-UHFFFAOYSA-N
SMILES:
CCSc1[nH]c(=O)c(c(n1)C(=O)O)CC
Properties
Complexity:
360
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:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.