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88492-18-6 | Acetamide, N-[4-(1,4,5,6-tetrahydro-6-thioxo-3-pyridazinyl)phenyl]-
CAS No: 88492-18-6 Catalog No: AG0049QJ MDL No:
Product Description
Catalog Number:
AG0049QJ
Chemical Name:
Acetamide, N-[4-(1,4,5,6-tetrahydro-6-thioxo-3-pyridazinyl)phenyl]-
CAS Number:
88492-18-6
Molecular Formula:
C12H13N3OS
Molecular Weight:
247.3161
IUPAC Name:
N-[4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
InChI:
InChI=1S/C12H13N3OS/c1-8(16)13-10-4-2-9(3-5-10)11-6-7-12(17)15-14-11/h2-5H,6-7H2,1H3,(H,13,16)(H,15,17)
InChI Key:
KNTGKYVKOZHJBG-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C1=NNC(=S)CC1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.316g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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