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Home > Pyridines > 1049606-94-1
1049606-94-1 | 5,6-dimethyl-3-sulfanylpyridazine-4-carboxamide
CAS No: 1049606-94-1 Catalog No: AG019MJE MDL No:MFCD10686892
Product Description
Catalog Number:
AG019MJE
Chemical Name:
5,6-dimethyl-3-sulfanylpyridazine-4-carboxamide
CAS Number:
1049606-94-1
Molecular Formula:
C7H9N3OS
Molecular Weight:
183.2309
MDL Number:
MFCD10686892
IUPAC Name:
3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide
InChI:
InChI=1S/C7H9N3OS/c1-3-4(2)9-10-7(12)5(3)6(8)11/h1-2H3,(H2,8,11)(H,10,12)
InChI Key:
RMNUYSDEMPWTHN-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(S)nnc(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:
-0.3
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