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Home > Pyridines > 1286726-62-2
1286726-62-2 | 4-methyl-N-(6-sulfanylpyridazin-3-yl)benzamide
CAS No: 1286726-62-2 Catalog No: AG01FLTF MDL No:MFCD22587404
Product Description
Catalog Number:
AG01FLTF
Chemical Name:
4-methyl-N-(6-sulfanylpyridazin-3-yl)benzamide
CAS Number:
1286726-62-2
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
MDL Number:
MFCD22587404
IUPAC Name:
4-methyl-N-(6-sulfanylidene-1H-pyridazin-3-yl)benzamide
InChI:
InChI=1S/C12H11N3OS/c1-8-2-4-9(5-3-8)12(16)13-10-6-7-11(17)15-14-10/h2-7H,1H3,(H,15,17)(H,13,14,16)
InChI Key:
XWNYTABWGJPLMG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Nc1ccc(nn1)S
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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