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5788-47-6 | 3-MERCAPTO-6-METHYLPYRIDAZINE
CAS No: 5788-47-6 Catalog No: AG00EG48 MDL No:MFCD00234112
Product Description
Catalog Number:
AG00EG48
Chemical Name:
3-MERCAPTO-6-METHYLPYRIDAZINE
CAS Number:
5788-47-6
Molecular Formula:
C5H6N2S
Molecular Weight:
126.1795
MDL Number:
MFCD00234112
IUPAC Name:
3-methyl-1H-pyridazine-6-thione
InChI:
InChI=1S/C5H6N2S/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
InChI Key:
FXQINRXVWWPGIQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(nn1)S
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.177g/mol
Monoisotopic Mass:
126.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Novel pyridazine based scorpionate ligands in cobalt and nickel boratrane compounds. | Inorganic chemistry 20110307 |
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