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Cas Database |
| Name |
Phenol,4,4'-[thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)- |
EINECS | 216-591-5 |
| CAS No. | 1620-93-5 | Density | 1.022g/cm3 |
| PSA | 65.76000 | LogP | 8.72120 |
| Solubility | N/A | Melting Point |
140-142 °C |
| Formula | C30H46O2S | Boiling Point | 502.8 °C at 760 mmHg |
| Molecular Weight | 470.76 | Flash Point | 243.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
p-Cresol, a,a'-thiobis[2,6-di-tert-butyl- (7CI,8CI);3,5-di-tert-Butyl-4-hydroxybenzyl monosulfide;4,4'-(Thiodimethylene)bis(2,6-di-tert-butylphenol);Antioxidant 4426S;Bis(3,5-di-tert-4-hydroxybenzyl) monosulfide;Bis(3,5-di-tert-butyl-4-hydroxybenzyl) sulfide;Methene 4426S;Sandant 103;TB3;TB 3 (phenol);Thioalkofen MMB;a,a'-Thiobis(2,6-di-tert-butyl-p-cresol); |
Article Data | 32 |
Phenol,4,4'-[thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)- Specification
The Phenol,4,4'-[thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)-, with CAS registry number 1620-93-5, has the systematic name of 4,4'-(sulfanediyldimethanediyl)bis(2,6-di-tert-butylphenol). And the chemical formula of this chemical is C30H46O2S. What's more, its EINECS is 216-591-5.
Physical properties of Phenol,4,4'-[thiobis(methylene)]bis[2,6-bis(1,1-dimethylethyl)-: (1)ACD/LogP: 9.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.47; (4)ACD/LogD (pH 7.4): 9.47; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3367658.25; (8)ACD/KOC (pH 7.4): 3367484.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 43.76 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 145.59 cm3; (15)Molar Volume: 460.5 cm3; (16)Polarizability: 57.71×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.022 g/cm3; (19)Flash Point: 243.7 °C; (20)Enthalpy of Vaporization: 80.11 kJ/mol; (21)Boiling Point: 502.8 °C at 760 mmHg; (22)Vapour Pressure: 9.88E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cc(cc1C(C)(C)C)CSCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
(3)InChIKey: UDFARPRXWMDFQU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
(5)Std. InChIKey: UDFARPRXWMDFQU-UHFFFAOYSA-N
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