2-Butanethiol

The 2-Butanethiol, with the CAS registry number 513-53-1, is also known as 1-Methyl-1-propanethiol. It belongs to the product category of Thiol Flavor. Its EINECS number is 208-165-2. This chemical's molecular formula is C₄H₁₀S and molecular weight is 90.19. What's more, its systematic name is 2-Butanethiol. This chemmical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire.

Physical properties of 2-Butanethiol are: (1)ACD/LogP: 2.305; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.23; (6)ACD/BCF (pH 7.4): 33.22; (7)ACD/KOC (pH 5.5): 427.32; (8)ACD/KOC (pH 7.4): 427.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.8 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 28.435 cm³; (15)Molar Volume: 108.987 cm³; (16)Polarizability: 11.273×10^-24cm³; (17)Surface Tension: 23.7 dyne/cm; (18)Density: 0.828 g/cm³; (19)Flash Point: 21.111 °C; (20)Enthalpy of Vaporization: 30.59 kJ/mol; (21)Boiling Point: 86.595 °C at 760 mmHg; (22)Vapour Pressure: 74.1 mmHg at 25°C.

Uses of 2-Butanethiol: it can be used to produce di-sec-butyl-disulfane at the ambient temperature. It will need solvent methanol with the reaction time of 3 hours. This reaction will also need catalysts CuSO₄, borohydride exchange resin (Amberlit IRA-400). The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is highly flammable, so you should keep it away from sources of ignition - No smoking. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: SC(C)CC
(2)Std. InChI: InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
(3)Std. InChIKey: LOCHFZBWPCLPAN-UHFFFAOYSA-N