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CAS No.: | 33667-80-0 |
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Name: | 2,4,6-TRIMETHYL DIPHENYL SULFIDE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C15H16S |
Molecular Weight: | 228.358 |
Synonyms: | Sulfide,mesityl phenyl (8CI);Mesityl phenyl sulfide; |
Density: | 1.075 g/cm3 |
Boiling Point: | 305.698 °C at 760 mmHg |
Flash Point: | 128.935 °C |
PSA: | 25.30000 |
LogP: | 4.76300 |
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The cas register number of 2,4,6-Trimethyldiphenyl sulfide is 33667-80-0. It also can be called as benzene, 1,3,5-trimethyl-2-(phenylthio)- and the Systematic name about this chemical is 1,3,5-trimethyl-2-(phenylsulfanyl)benzene.
Physical properties about (2R)-1-Methyl-2-pyrrolidineethanamine are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 15885; (6)ACD/BCF (pH 7.4): 15885; (7)ACD/KOC (pH 5.5): 35371; (8)ACD/KOC (pH 7.4): 35371; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 73.344 cm3; (15)Molar Volume: 212.357 cm3; (16)Surface Tension: 43.274 dyne/cm; (17)Density: 1.075 g/cm3; (18)Flash Point: 128.935 °C; (19)Enthalpy of Vaporization: 52.435 kJ/mol; (20)Boiling Point: 305.698 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Cc2cc(C)cc(C)c2Sc1ccccc1
2.InChI: InChI=1/C15H16S/c1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14/h4-10H,1-3H3
3.InChIKey: IOVNMGMCDITBSD-UHFFFAOYAL
4.Std. InChI: InChI=1S/C15H16S/c1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14/h4-10H,1-3H3