200,000+ products from a single source!
sales@angenechem.com
86626-98-4 | 4-Pyrimidinamine, 6-chloro-N-(4-methoxyphenyl)-2-(methylthio)-
CAS No: 86626-98-4 Catalog No: AG004TYO MDL No:
Product Description
Catalog Number:
AG004TYO
Chemical Name:
4-Pyrimidinamine, 6-chloro-N-(4-methoxyphenyl)-2-(methylthio)-
CAS Number:
86626-98-4
Molecular Formula:
C12H12ClN3OS
Molecular Weight:
281.7612
IUPAC Name:
6-chloro-N-(4-methoxyphenyl)-2-methylsulfanylpyrimidin-4-amine
InChI:
InChI=1S/C12H12ClN3OS/c1-17-9-5-3-8(4-6-9)14-11-7-10(13)15-12(16-11)18-2/h3-7H,1-2H3,(H,14,15,16)
InChI Key:
DYEMLJIDNMMSED-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1cc(Cl)nc(n1)SC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.758g/mol
Monoisotopic Mass:
281.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.