| Identification | |
| Name: | 2(3H)-Benzothiazolone,4-methyl- |
| Synonyms: | 4-Methyl-2(3H)-benzothiazolone;4-Methyl-3H-benzothiazol-2-one;4-methyl-1,3-benzothiazol-2(3H)-one;2-benzothiazolol, 4-methyl-;4-Methyl-1,3-benzothiazol-2-ol; |
| CAS: | 73443-84-2 |
| Molecular Formula: | C8H7NOS |
| Molecular Weight: | 165.21 |
| InChI: | InChI=1/C8H7NOS/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.03 g/cm3 |
| Refractive index: | 1.64 |
| Specification: |
The 2-Hydorxy-4-methylbenzothiazole, with the cas registry number 73443-84-2, has the systematic name of 4-methyl-1,3-benzothiazol-2(3H)-one. It belongs to the category of Benzothiazole. And the molecular formula of the chemical is C8H7NOS. The characteristics of this chemical are as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 384; (8)ACD/KOC (pH 7.4): 384; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.4 ?2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 45.669 cm3; (15)Molar Volume: 126.808 cm3; (16)Polarizability: 18.105×10-24cm3; (17)Surface Tension: 49.576 dyne/cm; (18)Density: 1.303 g/cm3; (19)Flash Point: 176.2 °C; (20)Enthalpy of Vaporization: 63.84 kJ/mol; (21)Boiling Point: 367.7 °C at 760 mmHg; (22)Vapour Pressure: 6.34E-06 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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