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Acetamide,2-[(diphenylmethyl)sulfonyl]- CAS NO.118779-53-6
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Keywords
- 2-(Benzhydrylsulfonyl)acetamide
- CRL 41056
- CRL 41056
Quick Details
- ProName: Acetamide,2-[(diphenylmethyl)sulfonyl]...
- CasNo: 118779-53-6
- Application: The Acetamide,2-[(diphenylmethyl)sulfo...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The Acetamide,2-[(diphenylmethyl)sulfo...
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Superiority
The Acetamide,2-[(diphenylmethyl)sulfonyl]-, with its CAS registry number 118779-53-6, has the systematic name of 2-[(diphenylmethyl)sulfonyl]acetamide. With its molecular foumula of C15H15NO3S, it has the formula weight of 289.349. For being a kind of white solid, it belongs to the product categories which include Intermediates & Fine Chemicals; Metabolites & Impurities; Neurochemicals; Pharmaceuticals.
The characteristics of Acetamide,2-[(diphenylmethyl)sulfonyl]- are as follows: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.97; (6)ACD/BCF (pH 7.4): 16.97; (7)ACD/KOC (pH 5.5): 264.12; (8)ACD/KOC (pH 7.4): 264.12; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 77.89 cm3; (15)Molar Volume: 224.4 cm3; (16)Polarizability: 30.87×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 300.1 °C; (20)Enthalpy of Vaporization: 85.83 kJ/mol; (21)Boiling Point: 572.6 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-13 mmHg at 25°C .
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=S(=O)(C(c1ccccc1)c2ccccc2)CC(=O)N
(2)InChI:InChI=1/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
(3)InChIKey:ZESNOWZYHYRSRY-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
(5)Std. InChIKey:ZESNOWZYHYRSRY-UHFFFAOYSA-N
Details
The Acetamide,2-[(diphenylmethyl)sulfonyl]-, with its CAS registry number 118779-53-6, has the systematic name of 2-[(diphenylmethyl)sulfonyl]acetamide. With its molecular foumula of C15H15NO3S, it has the formula weight of 289.349. For being a kind of white solid, it belongs to the product categories which include Intermediates & Fine Chemicals; Metabolites & Impurities; Neurochemicals; Pharmaceuticals.
The characteristics of Acetamide,2-[(diphenylmethyl)sulfonyl]- are as follows: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.97; (6)ACD/BCF (pH 7.4): 16.97; (7)ACD/KOC (pH 5.5): 264.12; (8)ACD/KOC (pH 7.4): 264.12; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 77.89 cm3; (15)Molar Volume: 224.4 cm3; (16)Polarizability: 30.87×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 300.1 °C; (20)Enthalpy of Vaporization: 85.83 kJ/mol; (21)Boiling Point: 572.6 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-13 mmHg at 25°C .
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=S(=O)(C(c1ccccc1)c2ccccc2)CC(=O)N
(2)InChI:InChI=1/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
(3)InChIKey:ZESNOWZYHYRSRY-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
(5)Std. InChIKey:ZESNOWZYHYRSRY-UHFFFAOYSA-N