Methyl methylsulfinylmethyl sulfide (33577-16-1)

The Methyl methylsulfinylmethyl sulfide, with the CAS registry number 33577-16-1 and EINECS registry number 251-577-2, has the IUPAC name of methylsulfanyl-[(S)-methylsulfinyl]methane. It is a kind of clear colorless to yellow liquid, and belongs to the following product categories: API intermediates; Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry. And the molecular formula of the chemical is C₃H₈OS₂.

The characteristics of Methyl methylsulfinylmethyl sulfide are as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.1; (8)ACD/KOC (pH 7.4): 11.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.58 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 32.8 cm³; (15)Molar Volume: 101.5 cm³; (16)Polarizability: 13×10^-24cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.223 g/cm³; (19)Flash Point: 121.4 °C; (20)Enthalpy of Vaporization: 47.53 kJ/mol; (21)Boiling Point: 257.8 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.

Uses of Methyl methylsulfinylmethyl sulfide: It can react with benzaldehyde to produce (E)-1-methylsulfinyl-1-methylthio-2-phenylethene. This reaction will need reagent Triton B, and the menstruum tetrahydrofuran. The reaction time is 4 hours with heating, and the yield is about 77%.

You should be cautious while dealing with this chemical. It irritates to eyes and skin. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; Wear suitable protective gloves and eye/face protection; If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(C)CSC
(2)InChI: InChI=1/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3
(3)InChIKey: OTKFCIVOVKCFHR-UHFFFAOYAE