3-Mercapto-2-butanol

The 3-Mercapto-2-butanol is an organic compound with the formula C₄H₁₀OS. The systematic name of this chemical is 3-sulfanylbutan-2-ol. With the CAS registry number 54812-86-1, it is also named as 2-Mercapto-3-butanol. The product's categories are API Intermediates; Self Assembly & Contact Printing; Self-Assembly Materials; Sulfur Compounds; Thiols/Mercaptans; ThiolsOrganic Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about 3-Mercapto-2-butanol are: (1)ACD/LogP: 0.47; (2)ACD/LogD (pH 5.5): 0.46; (3)ACD/LogD (pH 7.4): 0.46; (4)ACD/BCF (pH 5.5): 1.33; (5)ACD/BCF (pH 7.4): 1.33; (6)ACD/KOC (pH 5.5): 42.64; (7)ACD/KOC (pH 7.4): 42.59; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 34.53 Å²; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 29.92 cm³; (14)Molar Volume: 106.8 cm³; (15)Polarizability: 11.86×10^-24cm³; (16)Surface Tension: 32.2 dyne/cm; (17)Density: 0.993 g/cm³; (18)Flash Point: 61.7 °C; (19)Enthalpy of Vaporization: 46.45 kJ/mol; (20)Boiling Point: 162.3 °C at 760 mmHg; (21)Vapour Pressure: 0.75 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)C(S)C
(2)InChI: InChI=1/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3
(3)InChIKey: MJQWABQELVFQJL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3
(5)Std. InChIKey: MJQWABQELVFQJL-UHFFFAOYSA-N