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18963-26-3

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Basic Information
CAS No.: 18963-26-3
Name: 3-ethoxy-2-methyl-3-phenyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
Molecular Structure:
Molecular Structure of 18963-26-3 (3-ethoxy-2-methyl-3-phenyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide)
Formula: C16H17NO3S
Molecular Weight: 303.382
Synonyms: 1,2-Benzisothiazoline,3-ethoxy-2-methyl-3-phenyl-, 1,1-dioxide (8CI);NSC 110413;
Density: 1.32 g/cm3
Boiling Point: 437.2 °C at 760 mmHg
Flash Point: 218.2 °C
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Specification

The 1, 2-Benzisothiazole, 3-ethoxy-2, 3-dihydro-2-methyl-3-phenyl-, 1, 1-dioxide, with the CAS registry number 18963-26-3, is also known as 1, 2-Benzisothiazoline, 3-ethoxy-2-methyl-3-phenyl-, 1, 1-dioxide (8CI). This chemical's molecular formula is C16H17NO3S and molecular weight is 303.3761. What's more, its IUPAC name is 3-Ethoxy-2-methyl-3-phenyl-1, 2-benzothiazole 1, 1-dioxide.

Physical properties about 1, 2-Benzisothiazole, 3-ethoxy-2, 3-dihydro-2-methyl-3-phenyl-, 1, 1-dioxide are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 54.99 Å2; (7)Index of Refraction: 1.637; (8)Molar Refractivity: 82.38 cm3; (9)Molar Volume: 229.2 cm3; (10)Polarizability: 32.65×10-24 cm3; (11)Surface Tension: 56.6 dyne/cm; (12)Density: 1.32 g/cm3; (13)Flash Point: 218.2 °C; (14)Enthalpy of Vaporization: 69.38 kJ/mol; (15)Boiling Point: 437.2 °C at 760 mmHg; (16)Vapour Pressure: 7.61E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S2(=O)c1ccccc1C(OCC)(N2C)c3ccccc3
(2) InChI: InChI=1/C16H17NO3S/c1-3-20-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)21(18,19)17(16)2/h4-12H,3H2,1-2H3
(3) InChIKey: WSDAYLUWMKTDQO-UHFFFAOYAT