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CAS No.: | 2302-32-1 |
---|---|
Name: | 2-(2,4-DICHLOROPHENOXY)ETHANETHIOAMIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H7Cl2NOS |
Molecular Weight: | 236.122 |
Synonyms: | 2-(2,4-Dichlorophenoxy)thioacetamide, 97%; |
Density: | 1.452 g/cm3 |
Melting Point: | 139-141 °C |
Boiling Point: | 367.7 °C at 760 mmHg |
Flash Point: | 176.2 °C |
Hazard Symbols: | Xi |
PSA: | 67.34000 |
LogP: | 3.35860 |
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The Ethanethioamide,2-(2,4-dichlorophenoxy)-, with the CAS registry number of 2302-32-1, is also known as 2-(2,4-Dichlorophenoxy)thioacetamide, 97%. This chemical's molecular formula is C8H7Cl2NOS and molecular weight is 236.12. What's more, its systematic name is 2-(2,4-Dichlorophenoxy)ethanethioamide. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Ethanethioamide,2-(2,4-dichlorophenoxy)- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.78; (6)ACD/BCF (pH 7.4): 55.78; (7)ACD/KOC (pH 5.5): 619.06; (8)ACD/KOC (pH 7.4): 619.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.56 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 58.17 cm3; (15)Molar Volume: 162.5 cm3; (16)Surface Tension: 59.3 dyne/cm; (17)Density: 1.452 g/cm3; (18)Flash Point: 176.2 °C; (19)Enthalpy of Vaporization: 61.43 kJ/mol; (20)Boiling Point: 367.7 °C at 760 mmHg; (21)Vapour Pressure: 1.34E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)ccc1OCC(=S)N
(2) InChI: InChI=1/C8H7Cl2NOS/c9-5-1-2-7(6(10)3-5)12-4-8(11)13/h1-3H,4H2,(H2,11,13)
(3) InChIKey: AGDXYFYNDRKKSF-UHFFFAOYAM