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Home > Pyridines > 865090-24-0
865090-24-0 | 4-methyl-5-(pyridazin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 865090-24-0 Catalog No: AG01DQXP MDL No:MFCD26929368
Product Description
Catalog Number:
AG01DQXP
Chemical Name:
4-methyl-5-(pyridazin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
865090-24-0
Molecular Formula:
C7H7N5S
Molecular Weight:
193.2290
MDL Number:
MFCD26929368
IUPAC Name:
4-methyl-3-pyridazin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C7H7N5S/c1-12-6(10-11-7(12)13)5-2-3-8-9-4-5/h2-4H,1H3,(H,11,13)
InChI Key:
VWRZVBBBJDQJAZ-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1ccnnc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.228g/mol
Monoisotopic Mass:
193.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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