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CAS No.: | 18879-72-6 |
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Name: | Benzothiazole, 6-ethoxy-2-methyl- (7CI,8CI,9CI) |
Molecular Structure: | |
Formula: | C10H11NOS |
Molecular Weight: | 193.269 |
Synonyms: | NSC 142170; |
Density: | 1.185 g/cm3 |
Melting Point: | 56 °C |
Boiling Point: | 298.9 °C at 760mmHg |
Flash Point: | 134.6 °C |
PSA: | 50.36000 |
LogP: | 3.00340 |
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The Benzothiazole,6-ethoxy-2-methyl- is an organic compound with the molecular formula C10H11NOS. Its CAS registry number is 18879-72-6. The IUPAC name of this chemical is called 6-Ethoxy-2-methyl-1,3-benzothiazole. It belongs to the product category of Benzothiazole. What's more, the molecular weight of this chemical is 193.26544.
Physical properties about Benzothiazole,6-ethoxy-2-methyl- are: (1)ACD/LogP: 2.85; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.36 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 56.7 cm3; (9)Molar Volume: 163 cm3; (10)Polarizability: 22.48×10-24 cm3; (11)Surface Tension: 45.1 dyne/cm; (12)Density: 1.185 g/cm3; (13)Flash Point: 134.6 °C; (14)Enthalpy of Vaporization: 51.73 kJ/mol; (15)Boiling Point: 298.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00219 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c2ccc(OCC)cc2sc1C
(2) InChI: InChI=1/C10H11NOS/c1-3-12-8-4-5-9-10(6-8)13-7(2)11-9/h4-6H,3H2,1-2H3
(3) InChIKey: PKRZJVQWLOOWHD-UHFFFAOYAL