Eradicane E (51990-04-6)

The Eradicane E, with CAS registry number 51990-04-6, has the systematic name of S-ethyl dipropylcarbamothioate - 2,2-dichloro-N,N-di(prop-2-en-1-yl)acetamide (1:1). And its IUPAC name is 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide; S-ethyl N,N-dipropylcarbamothioate. And the chemical formula of this chemical is C₈H₁₁Cl₂NO^.C₉H₁₉NOS.

Physical properties of Eradicane E: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 213.62; (6)ACD/BCF (pH 7.4): 213.62; (7)ACD/KOC (pH 5.5): 1618.68; (8)ACD/KOC (pH 7.4): 1618.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 45.61 Å²; (13)Enthalpy of Vaporization: 49.19 kJ/mol; (14)Vapour Pressure: 0.0173 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCC)N(CCC)CCC.ClC(Cl)C(=O)N(C\C=C)C\C=C
(2)InChI: InChI=1/C9H19NOS.C8H11Cl2NO/c1-4-7-10(8-5-2)9(11)12-6-3;1-3-5-11(6-4-2)8(12)7(9)10/h4-8H2,1-3H3;3-4,7H,1-2,5-6H2
(3)InChIKey: KHQBZNBEMOUCBD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H19NOS.C8H11Cl2NO/c1-4-7-10(8-5-2)9(11)12-6-3;1-3-5-11(6-4-2)8(12)7(9)10/h4-8H2,1-3H3;3-4,7H,1-2,5-6H2
(5)Std. InChIKey: KHQBZNBEMOUCBD-UHFFFAOYSA-N

The toxicity data is as follows: