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The cas register number of Sutan E is 55947-96-1. It also can be called as 2,2-Dichloro-N,N-diallylacetamide S-ethyl diisobutylthiocarbamate and the Systematic name about this chemical is S-ethyl bis(2-methylpropyl)carbamothioate - 2,2-dichloro-N,N-di(prop-2-en-1-yl)acetamide (1:1).
Physical properties about Sutan E are: (1)ACD/LogP: 4.06; (2)ACD/LogD (pH 5.5): 4.06; (3)ACD/LogD (pH 7.4): 4.06; (4)ACD/BCF (pH 5.5): 720.56; (5)ACD/BCF (pH 7.4): 720.56; (6)ACD/KOC (pH 5.5): 3864.77; (7)ACD/KOC (pH 7.4): 3864.77; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 45.61Å2; (11)Enthalpy of Vaporization: 51.9 kJ/mol; (12)Boiling Point: 280.3 °C at 760 mmHg; (13)Vapour Pressure: 0.00382 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCC)N(CC(C)C)CC(C)C.ClC(Cl)C(=O)N(C\C=C)C\C=C
(2)InChI: InChI=1/C11H23NOS.C8H11Cl2NO/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;1-3-5-11(6-4-2)8(12)7(9)10/h9-10H,6-8H2,1-5H3;3-4,7H,1-2,5-6H2
(3)InChIKey: YCTRFFJVRIOPTH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H23NOS.C8H11Cl2NO/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;1-3-5-11(6-4-2)8(12)7(9)10/h9-10H,6-8H2,1-5H3;3-4,7H,1-2,5-6H2
(5)Std. InChIKey: YCTRFFJVRIOPTH-UHFFFAOYSA-N
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