2-phenylsulfanylacetamide

The Acetamide,2-(phenylthio)-, with CAS registry number 22446-20-4, has the systematic name of 2-(phenylsulfanyl)acetamide. Besides this, it is also called phenylsulfanyl-acetic acid amide. And the chemical formula of this chemical is C₈H₉NOS. Its molecular weight is 167.2282.

Physical properties of Acetamide,2-(phenylthio)-: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.12; (6)ACD/BCF (pH 7.4): 3.12; (7)ACD/KOC (pH 5.5): 78.62; (8)ACD/KOC (pH 7.4): 78.62; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.61 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 47.76 cm³; (15)Molar Volume: 137.9 cm³; (16)Polarizability: 18.93×10^-24cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 159.2 °C; (20)Enthalpy of Vaporization: 58.31 kJ/mol; (21)Boiling Point: 339.6 °C at 760 mmHg; (22)Vapour Pressure: 9.08E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-acetamide and benzenethiol. This reaction will need reagent K₂CO₃ and solvent toluene. The reaction time is 8 hour(s). The yield is about 53%.

Uses of Acetamide,2-(phenylthio)-: it can be used to produce 2-fluoro-2-phenylsulfanyl-acetamide. This reaction will need reagent Et₃N^.3HF and solvent tetrahydrofuran. The reaction temperature is 25 ℃. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CSc1ccccc1
(2)InChI: InChI=1/C8H9NOS/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
(3)InChIKey: KBRJQEVSKVOLNR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H9NOS/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
(5)Std. InChIKey: KBRJQEVSKVOLNR-UHFFFAOYSA-N