Phenol,2,4-bis[(dodecylthio)methyl]-6-methyl- (110675-26-8)

The IUPAC name of this chemical is 2,4-bis(dodecylsulfanylmethyl)-6-methylphenol. With the CAS registry number 110675-26-8, it is also named as Phenol, 2,4-bis((dodecylthio)methyl)-6-methyl-. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and the other registry number is 915978-08-4. Additionally, it is antioxygen.

The other characteristics of 2,4-Bis(dodecylthiomethyl)-6-methylphenol can be summarized as: (1)ACD/LogP: 14.32; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.32; (4)ACD/LogD (pH 7.4): 14.32; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 27; (8)Molar Refractivity: 169.97 cm³; (9)Molar Volume: 560.8 cm³; (10)Polarizability: 67.38×10^-24 cm³; (11)Surface Tension: 37.6 dyne/cm; (12)Enthalpy of Vaporization: 95.37 kJ/mol; (13)Vapour Pressure: 5.24E-16 mmHg at 25°C; (14)Rotatable Bond Count: 26; (15)Tautomer Count: 3; (16)Exact Mass: 536.408558; (17)MonoIsotopic Mass: 536.408558; (18)Topological Polar Surface Area: 70.8; (19)Heavy Atom Count: 36; (20)Complexity: 443.

People can use the following data to convert to the molecule structure. 
1. SMILES:S(Cc1cc(cc(c1O)C)CSCCCCCCCCCCCC)CCCCCCCCCCCC
2. InChI:InChI=1/C33H60OS2/c1-4-6-8-10-12-14-16-18-20-22-24-35-28-31-26-30(3)33(34)32(27-31)29-36-25-23-21-19-17-15-13-11-9-7-5-2/h26-27,34H,4-25,28-29H2,1-3H3