Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene, 1,4-bis(phenylthio)- |
EINECS | N/A |
CAS No. | 3459-94-7 | Density | 1.23 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H14S2 | Boiling Point | 467.5 °C at 760 mmHg |
Molecular Weight | 294.441 | Flash Point | 245.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4-Bis(phenylsulfanyl)benzene; |
Article Data | 42 |
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