| Identification | |
| Name: | Benzene,1-chloro-2-methyl-3-(methylthio)- |
| Synonyms: | 2-Chloro-6-(methylthio)toluene; |
| CAS: | 82961-52-2 |
| Molecular Formula: | C8H9ClS |
| Molecular Weight: | 172.68 |
| InChI: | InChI=1/C8H9ClS/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.17 g/cm3 |
| Refractive index: | 1.576 |
| Specification: |
The 2-Methyl-3-chlorothioanisole, with the CAS registry number 82961-52-2, is also known as 3-Chloro-2-methylphenyl methyl sulfide. This chemical's molecular formula is C8H9ClS and molecular weight is 172.68. Its systematic name is called 1-chloro-2-methyl-3-(methylsulfanyl)benzene. Physical properties of 2-Methyl-3-chlorothioanisole: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 413.83; (6)ACD/BCF (pH 7.4): 413.83; (7)ACD/KOC (pH 5.5): 2598.52; (8)ACD/KOC (pH 7.4): 2598.52; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 48.84 cm3; (12)Molar Volume: 147.5 cm3; (13)Surface Tension: 40.1 dyne/cm; (14)Density: 1.17 g/cm3; (15)Flash Point: 91.3 °C; (16)Enthalpy of Vaporization: 44.28 kJ/mol; (17)Boiling Point: 225 °C at 760 mmHg; (18)Vapour Pressure: 0.132 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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