Phenol,4,4'-thiobis[2,6-dimethyl]- supplier

Name
4,4'-thiobis[2,6-xylenol]
EINECS 242-401-5
CAS No. 18525-99-0
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₈O₂S
Boiling Point 452 °C at 760 mmHg
Molecular Weight 274.384
Flash Point 219.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Xylenol,4,4'-thiodi- (6CI,7CI,8CI);3,3',5,5'-Tetramethyl-4,4'-dihydroxydiphenylsulfide;4,4'-Dihydroxy-3,3',5,5'-tetramethyldiphenyl sulfide;4,4'-Thiobis(2,6-dimethylphenol);4,4'-Thiodi-2,6-xylenol;Bis(3,5-dimethyl-4-hydroxyphenyl) sulfide;Bis(4-hydroxy-3,5-dimethylphenyl)sulfide;Di(4-hydroxy-3,5-dimethylphenyl) sulfide;4,4'-Sulfanediylbis(2,6-dimethylphenol);
PSA 65.76000
LogP 4.48260

Phenol,4,4'-thiobis[2,6-dimethyl]- Specification

The Phenol,4,4'-thiobis[2,6-dimethyl]-, with the CAS registry number 18525-99-0, is also known as Bis(4-hydroxy-3,5-dimethylphenyl)sulfide. This chemical's molecular formula is C₁₆H₁₈O₂S and molecular weight is 274.38. What's more, its systematic name is 4,4'-Sulfanediylbis(2,6-dimethylphenol) and its EINECS number is 242-401-5.

Physical properties of Phenol,4,4'-thiobis[2,6-dimethyl]- are: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.18; (4)ACD/LogD (pH 7.4): 5.18; (5)ACD/BCF (pH 5.5): 5069.97; (6)ACD/BCF (pH 7.4): 5056.53; (7)ACD/KOC (pH 5.5): 15618.21; (8)ACD/KOC (pH 7.4): 15576.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.76 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 81.02 cm³; (15)Molar Volume: 222.1 cm³; (16)Polarizability: 32.12×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 219.3 °C; (20)Enthalpy of Vaporization: 73.85 kJ/mol; (21)Boiling Point: 452 °C at 760 mmHg; (22)Vapour Pressure: 8.65E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1O)C)SC2=CC(=C(C(=C2)C)O)C
(2)InChI: InChI=1S/C16H18O2S/c1-9-5-13(6-10(2)15(9)17)19-14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
(3)InChIKey: JPSMTGONABILTP-UHFFFAOYSA-N

Product Name

4,4'-thiobis[2,6-xylenol]

Phenol,4,4'-thiobis[2,6-dimethyl]- Specification

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