(methanesulfonylsulfanyl)(2H3)methane

• ChemBase ID: 173980
• Molecular Formular: C2H6O2S2
• Molecular Mass: 126.19784
• Monoisotopic Mass: 125.98092143
• SMILES: S(=O)(=O)(SC)C
• Canonical SMILES: CSS(=O)(=O)C
• InChI: InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
• InChIKey: XYONNSVDNIRXKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methanesulfonylsulfanyl)(^2H₃)methane
• IUPAC Traditional name: (methanesulfonylsulfanyl)(^2H₃)methane
• Synonyms: Methanesulfonothioic Acid S-(Methyl-d3) Ester; Thiomethanesulfonic Acid S-(Methyl-d3) Ester; MMTS-d3; NSC 21545-d3; S-(Methyl-d3) Methanesulfonothioate; S-(Methyl-d3) Methanethiosulfonate; Methyl Methanethiosulfonate-d3

Database IDs

• CAS Number: 55800-37-8
• PubChem SID: 164229890
• PubChem CID: 71750461

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.061644528
• LogD (pH = 7.4): -0.061644528
• Log P: -0.061644528
• Molar Refractivity: 27.5405 cm^3
• Polarizability: 11.780897 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M321503

Labelled Methyl Methanethiosulfonate (M321500). Used for the rapid and selective modification of sulfhydryl groups of enzymes. Useful for mapping the pore-lining regions of the ryanodine receptor.

REFERENCES

• Stauffer, D.A., and Karlin, A.: Biochemistry, 33, 6840 (1994)
• Yang, N. et al.: Neuron, 16, 113 (1994)
• Kuner, T. et al.: Neuron, 17, 343 (1994)
• Ehrlich, B.E., et al.: J. Gen. Physiol., 109, 255 (1994)
• Dunten, R.L., et al.: Biochemistry, 32, 3139-3145