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CAS No.: | 35370-94-6 |
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Name: | 2-(2-CHLOROPHENOXY)ETHANETHIOAMIDE |
Molecular Structure: | |
Formula: | C8H8ClNOS |
Molecular Weight: | 201.677 |
Synonyms: | 2-(2-Chlorophenoxy)thioacetamide;2-(o-Chlorophenoxy)thioacetamide;1-Amino-2-(2-chlorophenoxy)ethane-1-thione; |
Density: | 1.339 g/cm3 |
Melting Point: | 116 ºC |
Boiling Point: | 335.7 °C at 760 mmHg |
Flash Point: | 156.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 24/25 |
PSA: | 67.34000 |
LogP: | 2.70520 |
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The Ethanethioamide,2-(2-chlorophenoxy)-, with the CAS registry number 35370-94-6, is also known as 2-(o-Chlorophenoxy)thioacetamide. This chemical's molecular formula is C8H8ClNOS and molecular weight is 201.67. What's more, its systematic name is 2-(2-chlorophenoxy)ethanethioamide. When using it, you should avoid contacting with skin and eyes.
Physical properties of Ethanethioamide,2-(2-chlorophenoxy)- are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/BCF (pH 5.5): 16.42; (5)ACD/KOC (pH 5.5): 257.99; (6)ACD/KOC (pH 7.4): 258; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 44.56 Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 53.28 cm3; (13)Molar Volume: 150.5 cm3; (14)Surface Tension: 57.8 dyne/cm; (15)Density: 1.339 g/cm3; (16)Flash Point: 156.8 °C; (17)Enthalpy of Vaporization: 57.88 kJ/mol; (18)Boiling Point: 335.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000118 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1OCC(=S)N
(2)InChI: InChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)11-5-8(10)12/h1-4H,5H2,(H2,10,12)
(3)InChIKey: YVAJKXSZBMTZMX-UHFFFAOYSA-N