Product Name

  • Name

    2-(4-FLUOROBENZYLSULFONYL)THIOACETAMIDE

  • EINECS
  • CAS No. 175276-88-7
  • Density 1.432 g/cm3
  • Solubility
  • Melting Point 153-157°C
  • Formula C9H10FNO2S2
  • Boiling Point 474.7 °C at 760 mmHg
  • Molecular Weight 247.31
  • Flash Point 240.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 175276-88-7 (2-(4-FLUOROBENZYLSULFONYL)THIOACETAMIDE)
  • Hazard Symbols
  • Synonyms 2-[(4-FLUOROBENZYL)SULFONYL]ETHANETHIOAMIDE;2-(4-FLUOROBENZYLSULFONYL)THIOACETAMIDE;2-(4-Fluoro-ɑ-toluenesulfonyl)thioacetamide, 97%;2-(4-Fluoro-^a-toluenesulfonyl)thioacetamide, 97%;2-(4-Fluoro-alpha-toluenesulfonyl)thioacetamide, 97%;2-(4-Fluoro--Toluenesulfonyl)Thioacetamide, 97%
  • PSA 100.63000
  • LogP 2.80770

2-[(4-Fluorobenzyl)sulfonyl]ethanethioamide Specification

This chemical is called 2-[(4-Fluorobenzyl)sulfonyl]ethanethioamide, and its systematic name is ethanethioamide, 2-[[(4-fluorophenyl)methyl]sulfonyl]-. With the molecular formula of C9H10FNO2S2, its molecular weight is 247.31. The CAS registry number of this chemical is 175276-88-7.

Other characteristics of the 2-[(4-Fluorobenzyl)sulfonyl]ethanethioamide can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.86; (6)ACD/BCF (pH 7.4): 2.86; (7)ACD/KOC (pH 5.5): 73.84; (8)ACD/KOC (pH 7.4): 73.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.85 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 60.31 cm3; (15)Molar Volume: 172.6 cm3; (16)Polarizability: 23.9×10-24cm3; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.432 g/cm3; (19)Flash Point: 240.9 °C; (20)Enthalpy of Vaporization: 73.81 kJ/mol; (21)Boiling Point: 474.7 °C at 760 mmHg; (22)Vapour Pressure: 3.54E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1ccc(cc1)CS(=O)(=O)CC(=S)N
2.InChI: InChI=1/C9H10FNO2S2/c10-8-3-1-7(2-4-8)5-15(12,13)6-9(11)14/h1-4H,5-6H2,(H2,11,14)
3.InChIKey: AXJXBGORVIHNEY-UHFFFAOYAR

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