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CAS No.: | 143141-23-5 |
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Name: | 1H-Pyrrolo[2,3-b]pyridine, 1-(phenylsulfonyl)- |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C13H10N2O2S |
Molecular Weight: | 258.301 |
Synonyms: | 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine;1-Phenylsulfonylpyrrolo[2,3-b]pyridine; |
Density: | 1.34 g/cm3 |
Boiling Point: | 465.8 °C at 760 mmHg |
Flash Point: | 235.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 60.34000 |
LogP: | 3.35410 |
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The 1H-Pyrrolo[2,3-b]pyridine,1-(phenylsulfonyl)-, with the CAS registry number 143141-23-5, is also known as N-Benzenesulfonyl-7-azaindole. This chemical's molecular formula is C13H10N2O2S and molecular weight is 258.2957. Its systematic name is called 1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine.
Physical properties of 1H-Pyrrolo[2,3-b]pyridine,1-(phenylsulfonyl)-: (1)ACD/LogP: 2.35; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.667; (5)Molar Refractivity: 71.57 cm3; (6)Molar Volume: 192.1 cm3; (7)Surface Tension: 56.5 dyne/cm; (8)Density: 1.34 g/cm3; (9)Flash Point: 235.5 °C; (10)Enthalpy of Vaporization: 72.74 kJ/mol; (11)Boiling Point: 465.8 °C at 760 mmHg; (12)Vapour Pressure: 7.5E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)n3c2ncccc2cc3
(2)InChI: InChI=1/C13H10N2O2S/c16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15/h1-10H
(3)InChIKey: KEPQQULYWDIKEK-UHFFFAOYAE