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18525-99-0

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Basic Information
CAS No.: 18525-99-0
Name: 4,4'-thiobis[2,6-xylenol]
Molecular Structure:
Molecular Structure of 18525-99-0 (4,4'-thiobis[2,6-xylenol])
Formula: C16H18O2S
Molecular Weight: 274.384
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);
EINECS: 242-401-5
Density: 1.23 g/cm3
Boiling Point: 452 °C at 760 mmHg
Flash Point: 219.3 °C
PSA: 65.76000
LogP: 4.48260
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  • Phenol,4,4'-thiobis[2,6-dimethyl]-

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  • 4,4'-THIOBIS[2,6-XYLENOL]

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    4,4'-THIOBIS[2,6-XYLENOL]

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    4,4'-THIOBIS[2,6-XYLENOL]Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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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: 32.12×10-24 cm3; (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