200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88710-51-4
88710-51-4 | 1H-Imidazo[4,5-d]pyridazine, 2-[4-(ethylthio)-2-methoxyphenyl]-
CAS No: 88710-51-4 Catalog No: AG0045UK MDL No:
Product Description
Catalog Number:
AG0045UK
Chemical Name:
1H-Imidazo[4,5-d]pyridazine, 2-[4-(ethylthio)-2-methoxyphenyl]-
CAS Number:
88710-51-4
Molecular Formula:
C14H14N4OS
Molecular Weight:
286.3522
IUPAC Name:
2-(4-ethylsulfanyl-2-methoxyphenyl)-1H-imidazo[4,5-d]pyridazine
InChI:
InChI=1S/C14H14N4OS/c1-3-20-9-4-5-10(13(6-9)19-2)14-17-11-7-15-16-8-12(11)18-14/h4-8H,3H2,1-2H3,(H,17,18)
InChI Key:
XPQKITRTYOJZKL-UHFFFAOYSA-N
SMILES:
CCSc1ccc(c(c1)OC)c1nc2c([nH]1)cnnc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.353g/mol
Monoisotopic Mass:
286.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
© 2019 Angene International Limited. All rights Reserved.