3-METHYLTHIO-1,2-PROPANEDIOL

The 1,2-Propanediol,3-(methylthio)-, with the CAS registry number 22551-26-4, is also known as 3-Methylthio-1,2-propanediol. Its EINECS number is 245-073-1. This chemical's molecular formula is C₄H₁₀O₂S and molecular weight is 122.19. What's more, its systematic name is 3-(Methylsulfanyl)propane-1,2-diol. The product should be sealed and stored in cool and dry places.

Physical properties of 1,2-Propanediol,3-(methylthio)- are: (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): 11.14; (8)ACD/KOC (pH 7.4): 11.14; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.76 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 31.6 cm³; (15)Molar Volume: 103.9 cm³; (16)Polarizability: 12.52×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 127.6 °C; (20)Enthalpy of Vaporization: 57.97 kJ/mol; (21)Boiling Point: 261.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00166 mmHg at 25°C.

Uses of 1,2-Propanediol,3-(methylthio)-: it can be used to produce (R)-3-Methylthio-1,2-propanediol. It will need candida parapsilosis IFO 0708, culture medium, glucose under pH=6.5 with the reaction time of 54 hours. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSCC(CO)O
(2)InChI: InChI=1S/C4H10O2S/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3
(3)InChIKey: FXIHXPKPLPKPJH-UHFFFAOYSA-N