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1445-58-5 | 3(2H)-Pyridazinethione, 6-mercapto-
CAS No: 1445-58-5 Catalog No: AG001JNC MDL No:
Product Description
Catalog Number:
AG001JNC
Chemical Name:
3(2H)-Pyridazinethione, 6-mercapto-
CAS Number:
1445-58-5
Molecular Formula:
C4H4N2S2
Molecular Weight:
144.2180
IUPAC Name:
1,2-dihydropyridazine-3,6-dithione
InChI:
InChI=1S/C4H4N2S2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
InChI Key:
ICIMHRGIRRYUIW-UHFFFAOYSA-N
SMILES:
Sc1ccc(=S)[nH]n1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.982g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.21g/mol
Monoisotopic Mass:
143.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| UV-induced hydrogen-atom transfer in 3,6-dithiopyridazine and in model compounds 2-thiopyridine and 3-thiopyridazine. | The journal of physical chemistry. A 20111110 |
| S,S'-(Pyridazine-3,6-di-yl)dithio-uronium dichloride methanol monosolvate. | Acta crystallographica. Section E, Structure reports online 20110601 |
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