Benzene,1,1'-[1,3-propanediylbis(thio)]bis- supplier

Name
1,3-BIS(PHENYLTHIO)PROPANE
EINECS
CAS No. 28118-53-8
Article Data11
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₆S₂
Boiling Point 430.8 °C at 760 mmHg
Molecular Weight 260.424
Flash Point 194.6 °C
Transport Information
Appearance clear slightly yellow liquid
Safety 24/25
Risk Codes 24/25
Molecular Structure
Hazard Symbols
Synonyms Propane,1,3-bis(phenylthio)- (6CI,7CI,8CI);1,3-Bis(phenylsulfanyl)propane;1,3-Bis(phenylthio)propane;1,1'-(propane-1,3-diyldisulfanediyl)dibenzene;1,1'-(Propane-1,3-diyldisulfanediyl)dibenzene;benzene, 1,1'-[1,3-propanediylbis(thio)]bis-;
PSA 50.60000
LogP 4.96110

Benzene,1,1'-[1,3-propanediylbis(thio)]bis- Specification

The Benzene,1,1'-[1,3-propanediylbis(thio)]bis-, with the CAS registry number 28118-53-8, has the systematic name of 1,1'-(propane-1,3-diyldisulfanediyl)dibenzene. It is a kind of clear slightly yellow liquid, and the molecular formula of the chemical is C₁₅H₁₆S₂. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Benzene,1,1'-[1,3-propanediylbis(thio)]bis- are as followings: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 7483.32; (6)ACD/BCF (pH 7.4): 7483.32; (7)ACD/KOC (pH 5.5): 20638; (8)ACD/KOC (pH 7.4): 20638; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 81.38 cm³; (15)Molar Volume: 227.6 cm³; (16)Polarizability: 32.26×10^-24cm³; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 194.6 °C; (20)Enthalpy of Vaporization: 65.98 kJ/mol; (21)Boiling Point: 430.8 °C at 760 mmHg; (22)Vapour Pressure: 3.17E-07 mmHg at 25°C.

Uses of Benzene,1,1'-[1,3-propanediylbis(thio)]bis-: It can react with heptanal to produce 1-(1-phenylsulfanyl-cyclopropyl)-heptan-1-ol. This reaction will need reagent n-butyllithium and CuI, and the menstruum tetrahydrofuran. The reaction temperature is 0°C, and the yield is about 59%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(c1ccccc1)CCCSc2ccccc2
(2)InChI: InChI=1/C15H16S2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
(3)InChIKey: YNNYXLLXSONLCU-UHFFFAOYAX

Product Name

1,3-BIS(PHENYLTHIO)PROPANE

Benzene,1,1'-[1,3-propanediylbis(thio)]bis- Specification

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