Molecular Structure of Methyl methanethiosulfonate (2949-92-0):

EINECS: 220-970-0
IUPAC Name: methylsulfonylsulfanylmethane
Molecular Formula: C₂H₆O₂S₂
Molecular Weight: 126.197840 g/mol
XLogP3-AA: 0
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CSS(=O)(=O)C
InChI: InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKey: XYONNSVDNIRXKZ-UHFFFAOYSA-N
Index of Refraction: 1.494
Molar Refractivity: 28.12 cm³
Molar Volume: 96.5 cm³
Surface Tension: 41.8 dyne/cm
Density: 1.307 g/cm³
Flash Point: 115.2 °C
Boiling Point: 266.9 °C at 760 mmHg
Enthalpy of Vaporization: 48.46 kJ/mol
Vapour Pressure: 0.0138 mmHg at 25 °C
Water Solubility: 5.333e+004 mg/L at 25 °C
Refractive Index: n20/D 1.513(lit.)
Storage Temp.: 2-8°C
BRN: 1446059

Safety Information of Methyl methanethiosulfonate (2949-92-0):
Hazard Codes: Xi,Xn
Risk Statements: 36-36/37/38-20/21/22
36: Irritating to the eyes
36/37/38: Irritating to eyes, respiratory system and skin
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: 3334
WGK: Germany 2
RTECS: PB2765000
F: 13

  Methyl methanethiosulfonate (2949-92-0) is light yellow liquid, also called for Methyl methanesulfonothioate ; S-Methyl methanesulfonothioate ; S-Methyl methanethiosulfonate ; Methanesulfonic acid, thio-, S-methyl ester ; Methanesulfonothioic acid, S-methyl ester ; S-Methyl methanethiosulfonate ; S-Methyl methanethiosulphonate . It can be used for the rapid and selective modification of sulfhydryl groups of enzymes.