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114698-30-5 | 2,5,6-trimethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide
CAS No: 114698-30-5 Catalog No: AG019KYB MDL No:MFCD09802116
Product Description
Catalog Number:
AG019KYB
Chemical Name:
2,5,6-trimethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide
CAS Number:
114698-30-5
Molecular Formula:
C8H11N3OS
Molecular Weight:
197.2574
MDL Number:
MFCD09802116
IUPAC Name:
2,5,6-trimethyl-3-oxopyridazine-4-carbothioamide
InChI:
InChI=1S/C8H11N3OS/c1-4-5(2)10-11(3)8(12)6(4)7(9)13/h1-3H3,(H2,9,13)
InChI Key:
FPJJNQXLIVTTNU-UHFFFAOYSA-N
SMILES:
Cc1nn(C)c(=O)c(c1C)C(=S)N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.256g/mol
Monoisotopic Mass:
197.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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