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Home > Imidazoles > 3438-77-5
3438-77-5 | 7-(methylsulfanyl)-5,6-dihydro-4h-imidazo[4,5-d]pyridazin-4-one
CAS No: 3438-77-5 Catalog No: AG007FVZ MDL No:
Product Description
Catalog Number:
AG007FVZ
Chemical Name:
7-(methylsulfanyl)-5,6-dihydro-4h-imidazo[4,5-d]pyridazin-4-one
CAS Number:
3438-77-5
Molecular Formula:
C6H6N4OS
Molecular Weight:
182.2030
IUPAC Name:
4-methylsulfanyl-3,6-dihydroimidazo[4,5-d]pyridazin-7-one
InChI:
InChI=1S/C6H6N4OS/c1-12-6-4-3(7-2-8-4)5(11)9-10-6/h2H,1H3,(H,7,8)(H,9,11)
InChI Key:
RTGVGYBMQVNBMV-UHFFFAOYSA-N
SMILES:
CSc1[nH][nH]c(=O)c2c1ncn2
NSC Number:
64800
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.201g/mol
Monoisotopic Mass:
182.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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