Systematic Name: {(3S)-1-[(4-Methylphenyl)sulfonyl]pyrrolidin-3-yl}(diphenyl)acetonitrile
Synonyms of (S)-3-(1-Cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine (CAS NO.133099-09-9): (S)-2,2-Diphenyl-2-(1-tosyl-3-pyrrolidinyl)acetonitrile
CAS NO: 133099-09-9
Molecular Formula: C₂₅H₂₄N₂O₂S
Molecular Weight: 416.54
Molecular Structure:
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 69.55 Å²
Index of Refraction: 1.628
Molar Refractivity: 119.17 cm³
Molar Volume: 335.4 cm³
Surface Tension: 54.1 dyne/cm
Density: 1.241 g/cm³
Flash Point: 306.3 °C
Enthalpy of Vaporization: 87.12 kJ/mol
Boiling Point: 582.8 °C at 760 mmHg
Vapour Pressure: 1.43E-13 mmHg at 25°C
SMILES: O=S(=O)(c1ccc(C)cc1)N2C[C@@H](CC2)C(C#N)(c3ccccc3)c4ccccc4 Copy
InChI: InChI=1/C25H24N2O2S/c1-20-12-14-24(15-13-20)30(28,29)27-17-16-23(18-27)25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23H,16-18H2,1H3/t23-/m1/s1 Copy
InChIKey: XPQZNOFTICUMIN-HSZRJFAPBR
Std. InChI: InChI=1S/C25H24N2O2S/c1-20-12-14-24(15-13-20)30(28,29)27-17-16-23(18-27)25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23H,16-18H2,1H3/t23-/m1/s1 Copy
Std. InChIKey: XPQZNOFTICUMIN-HSZRJFAPSA-N
Product Categories of (S)-3-(1-Cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine (CAS NO.133099-09-9): APIs Intermediate;Benzenes