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Home > Imidazoles > 6596-81-2
6596-81-2 | 2-Thioxo-1,3-dimethyl-1H-imidazole
CAS No: 6596-81-2 Catalog No: AG00FU1U MDL No:
Product Description
Catalog Number:
AG00FU1U
Chemical Name:
2-Thioxo-1,3-dimethyl-1H-imidazole
CAS Number:
6596-81-2
IUPAC Name:
1,3-dimethylimidazole-2-thione
InChI:
InChI=1S/C5H8N2S/c1-6-3-4-7(2)5(6)8/h3-4H,1-2H3
InChI Key:
ZYPLZLQKRFFKCL-UHFFFAOYSA-N
NSC Number:
299837
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.041g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.193g/mol
Monoisotopic Mass:
128.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Bioinorganic chemistry in thyroid gland: effect of antithyroid drugs on peroxidase-catalyzed oxidation and iodination reactions. | Bioinorganic chemistry and applications 20060101 |
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