Imidazole-4-methyl Methanethiosulfonate Hydrochloride - CAS 1184970-27-1
Catalog: |
BB063654 |
Product Name: |
Imidazole-4-methyl Methanethiosulfonate Hydrochloride |
CAS: |
1184970-27-1 |
Synonyms: |
IM-MTS Hydrochloride; Methanesulfonothioic Acid S-(1H-Imidazol-5-ylmethyl) Ester Hydrochloride |
IUPAC Name: | 5-(methylsulfonylsulfanylmethyl)-1H-imidazolehydrochloride |
Description: | Reacts specifically and rapidly with thiols to form mixed disulfides. |
Molecular Weight: | 228.72 |
Molecular Formula: | C5H9ClN2O2S2 |
Canonical SMILES: | CS(=O)(=O)SCC1=CN=CN1.Cl |
InChI: | InChI=1S/C5H8N2O2S2.ClH/c1-11(8,9)10-3-5-2-6-4-7-5/h2,4H,3H2,1H3,(H,6,7)1H |
InChI Key: | IHZUPRKKSFZTDO-UHFFFAOYSA-N |
Melting Point: | 132-1340C |
Solubility: | DMSO, Methanol |
Appearance: | Off-White to Pale Beige Solid |
Storage: | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9793976 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9793976 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 96.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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