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Home > Pyridines > 1394042-01-3
1394042-01-3 | 5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide
CAS No: 1394042-01-3 Catalog No: AG019ZWU MDL No:MFCD23891644
Product Description
Catalog Number:
AG019ZWU
Chemical Name:
5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide
CAS Number:
1394042-01-3
Molecular Formula:
C9H13N3OS
Molecular Weight:
211.2840
MDL Number:
MFCD23891644
IUPAC Name:
3,4-diethyl-6-oxo-1H-pyridazine-5-carbothioamide
InChI:
InChI=1S/C9H13N3OS/c1-3-5-6(4-2)11-12-9(13)7(5)8(10)14/h3-4H2,1-2H3,(H2,10,14)(H,12,13)
InChI Key:
XGUZZAWFNLPRDG-UHFFFAOYSA-N
SMILES:
CCc1c(CC)n[nH]c(=O)c1C(=S)N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.283g/mol
Monoisotopic Mass:
211.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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