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77780-69-9 | N-(6-sulfanylpyridazin-3-yl)acetamide
CAS No: 77780-69-9 Catalog No: AG01FLT8 MDL No:MFCD22587400
Product Description
Catalog Number:
AG01FLT8
Chemical Name:
N-(6-sulfanylpyridazin-3-yl)acetamide
CAS Number:
77780-69-9
Molecular Formula:
C6H7N3OS
Molecular Weight:
169.2043
MDL Number:
MFCD22587400
IUPAC Name:
N-(6-sulfanylidene-1H-pyridazin-3-yl)acetamide
InChI:
InChI=1S/C6H7N3OS/c1-4(10)7-5-2-3-6(11)9-8-5/h2-3H,1H3,(H,9,11)(H,7,8,10)
InChI Key:
GISPVUDCHXIGDN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(nn1)S
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.202g/mol
Monoisotopic Mass:
169.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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