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| CAS No.: | 139122-20-6 |
|---|---|
| Name: | 4-[2'-[[(4-METHYLPHENYL)SULFONYL]OXY]ETHYL]-1,3-DIHYDRO-2H-INDOLE-2-ONE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C17H17NO4S |
| Molecular Weight: | 331.392 |
| Synonyms: | 4-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethyl]-1,3-dihydro-2H-indole-2-one; |
| Density: | 1.312 g/cm3 |
| Boiling Point: | 561.181 °C at 760 mmHg |
| Flash Point: | 293.192 °C |
| PSA: | 80.85000 |
| LogP: | 3.65640 |
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Specification
The 4-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethyl]-2-oxoindole with its cas register number is 139122-20-6. It also can be called as 4-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethyl]-1,3-dihydro-2H-indole-2-one and the Systematic name about this chemical is 2-(2-oxo-2,3-dihydro-1H-indol-4-yl)ethyl 4-methylbenzenesulfonate. It belongs to the Pharmaceutical material and intermeidates.
Physical properties about 4-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethyl]-2-oxoindole are: (1)ACD/LogP: 1.70; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 41; (5)ACD/BCF (pH 7.4): 41; (6)ACD/KOC (pH 5.5): 495; (7)ACD/KOC (pH 7.4): 495; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 80.85Å2; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 86.882 cm3; (14)Molar Volume: 252.679 cm3; (15)Polarizability: 34.443x10-24cm3; (16)Surface Tension: 51.342 dyne/cm; (17)Enthalpy of Vaporization: 84.395 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OCCc1cccc2c1CC(=O)N2)c3ccc(cc3)C
(2)InChI: InChI=1/C17H17NO4S/c1-12-5-7-14(8-6-12)23(20,21)22-10-9-13-3-2-4-16-15(13)11-17(19)18-16/h2-8H,9-11H2,1H3,(H,18,19)
(3)InChIKey: OGFUVAXFYGBCAK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C17H17NO4S/c1-12-5-7-14(8-6-12)23(20,21)22-10-9-13-3-2-4-16-15(13)11-17(19)18-16/h2-8H,9-11H2,1H3,(H,18,19)
(5)Std. InChIKey: OGFUVAXFYGBCAK-UHFFFAOYSA-N