200,000+ products from a single source!
sales@angenechem.com
144425-86-5 | Ethanesulfonic acid, compd. with 5-(2,3,5-trichlorophenyl)-2,4-pyrimidinediamine (1:1)
CAS No: 144425-86-5 Catalog No: AG001JIQ MDL No:
Product Description
Catalog Number:
AG001JIQ
Chemical Name:
Ethanesulfonic acid, compd. with 5-(2,3,5-trichlorophenyl)-2,4-pyrimidinediamine (1:1)
CAS Number:
144425-86-5
Molecular Formula:
C12H13Cl3N4O3S
Molecular Weight:
399.6806
IUPAC Name:
ethanesulfonic acid;5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C10H7Cl3N4.C2H6O3S/c11-4-1-5(8(13)7(12)2-4)6-3-16-10(15)17-9(6)14;1-2-6(3,4)5/h1-3H,(H4,14,15,16,17);2H2,1H3,(H,3,4,5)
InChI Key:
NVKJAOGJEDODFZ-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl.CCS(=O)(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.977g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
399.671g/mol
Monoisotopic Mass:
397.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.