CAS No.17096-15-0,1,1'-Thiobis(2-naphthol) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17096-15-0
Name:	1,1'-Thiobis(2-naphthol)
Article Data:	38

Formula:	C₂₀H₁₄O₂S
Molecular Weight:	318.396
Synonyms:	2-Naphthol,1,1'-thiodi- (6CI,7CI,8CI);1,1'-Thiobis(2-naphthol);1,1'-Thiobis(b-naphthol);1,1'-Thiodi-b-naphthol;Bis(2-hydroxy-1-naphthyl)sulfide;NSC 11877;
EINECS:	241-166-6
Density:	1.41g/cm³
Melting Point:	216°C
Boiling Point:	525.2 °C at 760 mmHg
Flash Point:	254.5 °C
Hazard Symbols:	F,C
Risk Codes:	R11; R34
PSA:	65.76000
LogP:	5.55540

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Specification

The 1,1'-Thiobis(2-naphthol), with CAS registry number 17096-15-0, has the systematic name of 1,1'-sulfanediyldinaphthalen-2-ol. And its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)sulfanylnaphthalen-2-ol. And the chemical formula of this chemical is C₂₀H₁₄O₂S. What's more, its EINECS is 241-166-6.

Physical properties of 1,1'-Thiobis(2-naphthol): (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 4.77; (5)ACD/BCF (pH 5.5): 3677.11; (6)ACD/BCF (pH 7.4): 2196.8; (7)ACD/KOC (pH 5.5): 12381.64; (8)ACD/KOC (pH 7.4): 7397.09; (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: 1.813; (14)Molar Refractivity: 97.64 cm³; (15)Molar Volume: 225.5 cm³; (16)Polarizability: 38.71×10^-24cm³; (17)Surface Tension: 77.8 dyne/cm; (18)Enthalpy of Vaporization: 82.93 kJ/mol; (19)Vapour Pressure: 1.2E-11 mmHg at 25°C.

Uses of 1,1'-Thiobis(2-naphthol): it can be used to produce 1,1'-sulfanediyl-di-[2]naphthol. This reaction will need reagents carbon-sulfur electrode, 0.1 M trichloroacetic acid, 0.2 M TEAP and solvent CH₂Cl₂. The reaction time is 2 hour(s). The yield is about 16%.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc4ccc1c(cccc1)c4Sc3c(O)ccc2ccccc23
(2)InChI: InChI=1/C20H14O2S/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
(3)InChIKey: HGYMQZVPTMKXGI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C20H14O2S/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
(5)Std. InChIKey: HGYMQZVPTMKXGI-UHFFFAOYSA-N