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98279-98-2 | 4-Pyridazinecarbonitrile, 2,3-dihydro-5,6-dimethyl-3-thioxo-
CAS No: 98279-98-2 Catalog No: AG019KW7 MDL No:MFCD09802065
Product Description
Catalog Number:
AG019KW7
Chemical Name:
4-Pyridazinecarbonitrile, 2,3-dihydro-5,6-dimethyl-3-thioxo-
CAS Number:
98279-98-2
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
MDL Number:
MFCD09802065
IUPAC Name:
3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carbonitrile
InChI:
InChI=1S/C7H7N3S/c1-4-5(2)9-10-7(11)6(4)3-8/h1-2H3,(H,10,11)
InChI Key:
IESXQDZTSAQWTK-UHFFFAOYSA-N
SMILES:
N#Cc1c(S)nnc(c1C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.214g/mol
Monoisotopic Mass:
165.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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