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Home > Pyridines > 950148-94-4
950148-94-4 | 5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide
CAS No: 950148-94-4 Catalog No: AG019L3U MDL No:MFCD14586545
Product Description
Catalog Number:
AG019L3U
Chemical Name:
5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide
CAS Number:
950148-94-4
Molecular Formula:
C7H9N3OS
Molecular Weight:
183.2309
MDL Number:
MFCD14586545
IUPAC Name:
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbothioamide
InChI:
InChI=1S/C7H9N3OS/c1-3-4(2)9-10-7(11)5(3)6(8)12/h1-2H3,(H2,8,12)(H,10,11)
InChI Key:
KDXAYGZUGSMFLT-UHFFFAOYSA-N
SMILES:
NC(=S)c1c(=O)[nH]nc(c1C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.229g/mol
Monoisotopic Mass:
183.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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