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CAS No.: | 713134-72-6 |
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Name: | Methyl (R)-(benzhydrylsulfinyl)acetate |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C16H16O3S |
Molecular Weight: | 288.367 |
Synonyms: | Aceticacid, [(R)-(diphenylmethyl)sulfinyl]-, methyl ester (9CI); |
Density: | 1.242 g/cm3 |
Boiling Point: | 483.787 °C at 760 mmHg |
Flash Point: | 246.386 °C |
Appearance: | Off-White Solid |
PSA: | 62.58000 |
LogP: | 3.56340 |
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The Methyl (R)-(benzhydrylsulfinyl)acetate is an organic compound with the formula C16H16O3S. The systematic name of this chemical is methyl 2-[(R)-benzhydrylsulfinyl]acetate. With the CAS registry number 713134-72-6, it is also named as (R)-Modafinil Carboxylate Methyl Ester. The product's categories are Aromatics; Chiral Reagents; Drug Analogues; Intermediates & Fine Chemicals; Neurochemicals; Pharmaceuticals. Besides, it is an off-white solid.
Physical properties about Methyl (R)-(benzhydrylsulfinyl)acetate are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.035; (3)ACD/LogD (pH 7.4): 2.035; (4)ACD/BCF (pH 5.5): 20.742; (5)ACD/BCF (pH 7.4): 20.742; (6)ACD/KOC (pH 5.5): 304.942; (7)ACD/KOC (pH 7.4): 304.942; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 62.58 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 80.106 cm3; (13)Molar Volume: 232.09 cm3; (14)Polarizability: 31.757×10-24cm3; (15)Surface Tension: 54.987 dyne/cm; (16)Density: 1.242 g/cm3; (17)Flash Point: 246.386 °C; (18)Enthalpy of Vaporization: 74.896 kJ/mol; (19)Boiling Point: 483.787 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C16H16O3S/c1-19-15(17)12-20(18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t20-/m1/s1
(3)InChIKey: JFMZFATUMFWKEA-HXUWFJFHBA
(4)Std. InChI: InChI=1S/C16H16O3S/c1-19-15(17)12-20(18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t20-/m1/s1
(5)Std. InChIKey: JFMZFATUMFWKEA-HXUWFJFHSA-N