Name: Name:Pyrimido[4,5-d]pyridazin-5(6H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)-
Brand: Angene
SKU: AG001HHG
Rating: 90 (10 reviews)

Pyrimido[4,5-d]pyridazin-5(6H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)-

CAS No.:

1419794-21-0

Catalog Number:

AG001HHG

Molecular Formula:

C14H10Cl2N4OS

Molecular Weight:

353.2264

Catalog Number:

AG001HHG

Chemical Name:

Pyrimido[4,5-d]pyridazin-5(6H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)-

CAS Number:

1419794-21-0

Molecular Formula:

C14H10Cl2N4OS

Molecular Weight:

353.2264

MDL Number:

MFCD27991317

IUPAC Name:

6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one

InChI:

InChI=1S/C14H10Cl2N4OS/c1-7-11-8(6-17-14(18-11)22-2)13(21)20(19-7)12-9(15)4-3-5-10(12)16/h3-6H,1-2H3

InChI Key:

BMGUVOVPEOQPTR-UHFFFAOYSA-N

SMILES:

CSc1ncc2c(n1)c(C)nn(c2=O)c1c(Cl)cccc1Cl

Complexity:

468

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

353.221g/mol

Monoisotopic Mass:

351.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5