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31271-90-6

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Basic Information
CAS No.: 31271-90-6
Name: N-(P-TOLUENESULFONYL)INDOLE
Article Data: 117
Molecular Structure:
Molecular Structure of 31271-90-6 (N-(P-TOLUENESULFONYL)INDOLE)
Formula: C15H13NO2S
Molecular Weight: 271.34
Synonyms: Indole,1-(p-tolylsulfonyl)- (8CI);1-Tosylindole;1-[(4-Methylphenyl)sulfonyl]-1H-indole;1-p-Toluenesulfonyl-1H-indole;N-(4-Methylphenylsulfonyl)indole;N-(4-Tolylsulfonyl)-1H-indole;N-Tosyl-1H-indole;N-Tosylindole;N-p-Tolylsulfonylindole;p-Toluenesulfonic acid benzotriazolide;
Density: 1.24 g/cm3
Melting Point: 84-86 °C
Boiling Point: 458.269 °C at 760 mmHg
Flash Point: 230.953 °C
Solubility: Insoluble in water.
PSA: 47.45000
LogP: 4.26750
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Chemistry

Systematic Name: 1-[(4-Methylphenyl)sulfonyl]-1H-indole
Synonyms of 1H-Indole,1-[(4-methylphenyl)sulfonyl]- (CAS NO.31271-90-6): 1-[(4-Methylphenyl)sulfonyl]-1H-indole  
CAS NO: 31271-90-6
Molecular Formula: C15H13NO2S
Molecular Weight: 271.3342
Molecular Structure:
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 47.45 Å2
Index of Refraction: 1.627
Molar Refractivity: 77.551 cm3
Molar Volume: 218.783 cm3
Surface Tension: 48.325 dyne/cm
Density: 1.24 g/cm3
Flash Point: 230.953 °C
Enthalpy of Vaporization: 71.855 kJ/mol
Boiling Point: 458.269 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting Point: 84-86°C
SMILES: O=S(=O)(c1ccc(cc1)C)n3c2ccccc2cc3
InChI: InChI=1/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
InChIKey: JNRRPYFLDADLJW-UHFFFAOYAA
Std. InChI: InChI=1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
Std. InChIKey: JNRRPYFLDADLJW-UHFFFAOYSA-N