Methyl (R)-(benzhydrylsulfinyl)acetate supplier

Name
Methyl (R)-(benzhydrylsulfinyl)acetate
EINECS
CAS No. 713134-72-6
Article Data6
CAS DataBase
Density 1.242 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₆O₃S
Boiling Point 483.787 °C at 760 mmHg
Molecular Weight 288.367
Flash Point 246.386 °C
Transport Information
Appearance Off-White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, [(R)-(diphenylmethyl)sulfinyl]-, methyl ester (9CI);
PSA 62.58000
LogP 3.56340

Methyl (R)-(benzhydrylsulfinyl)acetate Specification

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

Product Name

Methyl (R)-(benzhydrylsulfinyl)acetate

Methyl (R)-(benzhydrylsulfinyl)acetate Specification

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