| Identification | |
| Name: | Benzene,1-methyl-3-(methylthio)- |
| Synonyms: | Sulfide,methyl m-tolyl (6CI,7CI,8CI);1-Methyl-3-(methylsulfanyl)benzene;1-Methyl-3-(methylthio)benzene;3-(Methylthio)-1-methylbenzene;3-(Methylthio)toluene;Methyl 3-methylphenyl sulfide;Methyl m-methylphenylsulfide;Methyl m-tolyl sulfide;m-Methylthioanisole;m-Tolyl methyl sulfide; |
| CAS: | 4886-77-5 |
| Molecular Formula: | C8 H10 S |
| Molecular Weight: | 138.23 |
| InChI: | InChI=1/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.01 g/cm3 |
| Refractive index: | 1.558 |
| Specification: |
The 3-Methylthioanisole with cas registry number of 4886-77-5, is also called Sulfide,methyl m-tolyl (6CI,7CI,8CI) ; 1-Methyl-3-(methylsulfanyl)benzene ; 1-Methyl-3-(methylthio)benzene ; 3-(Methylthio)-1-methylbenzene ; 3-(Methylthio)toluene ; Methyl 3-methylphenyl sulfide ; Methyl m-methylphenylsulfide ; Methyl m-tolyl sulfide ; m-Methylthioanisole ; m-Tolyl methyl sulfide . Physical properties of 3-Methylthioanisole :(1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.6; (6)ACD/BCF (pH 7.4): 149.6; (7)ACD/KOC (pH 5.5): 1254.4; (8)ACD/KOC (pH 7.4): 1254.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 44.01 cm3; (15)Molar Volume: 136.3 cm3; (16)Polarizability: 17.44×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Enthalpy of Vaporization: 41.8 kJ/mol; (19)Vapour Pressure: 0.478 mmHg at 25°C . You can still convert the following datas into molecular structure:(1)SMILES:S(c1cc(ccc1)C)C; (2)InChI:InChI=1/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3; (3)InChIKey:HCQVSQDSAZSABA-UHFFFAOYAM; (4)Std. InChI:InChI=1S/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3; (5)Std. InChIKey:HCQVSQDSAZSABA-UHFFFAOYSA-N . |
| Safety Data | |
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