Benzene, 1,4-bis(phenylthio)- supplier

Name
Benzene, 1,4-bis(phenylthio)-
EINECS
CAS No. 3459-94-7
Article Data42
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₄S₂
Boiling Point 467.5 °C at 760 mmHg
Molecular Weight 294.441
Flash Point 245.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Bis(phenylsulfanyl)benzene;
PSA
LogP

Benzene, 1,4-bis(phenylthio)- Specification

The Benzene, 1,4-bis(phenylthio)- has the CAS registry number 3459-94-7. This chemical's molecular formula is C₁₈H₁₄S₂ and molecular weight is 294.43. What's more, its systematic name is 1,4-bis(phenylsulfanyl)benzene.

Physical properties of Benzene, 1,4-bis(phenylthio)- are: (1)ACD/LogP: 6.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.68; (4)ACD/LogD (pH 7.4): 6.68; (5)ACD/BCF (pH 5.5): 70485.72; (6)ACD/BCF (pH 7.4): 70485.72; (7)ACD/KOC (pH 5.5): 102766.44; (8)ACD/KOC (pH 7.4): 102766.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 92.19 cm³; (15)Molar Volume: 237.9 cm³; (16)Polarizability: 36.54×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 245.6 °C; (20)Enthalpy of Vaporization: 70.16 kJ/mol; (21)Boiling Point: 467.5 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1)c3ccc(Sc2ccccc2)cc3
(2)InChI: InChI=1S/C18H14S2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H
(3)InChIKey: WGBYOWIYAKVOLO-UHFFFAOYSA-N

Product Name

Benzene, 1,4-bis(phenylthio)-

Benzene, 1,4-bis(phenylthio)- Specification

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