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Name |
Eradicane E |
EINECS | N/A |
CAS No. | 51990-04-6 | Density | N/A |
PSA | 65.92000 | LogP | 4.97220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11Cl2NO.C9H19NOS | Boiling Point | 254.4 °C at 760 mmHg |
Molecular Weight | 397.40 | Flash Point | 107.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamothioic acid,dipropyl-,S-ethyl ester,mixt. with 2,2-dichloro-N,N-di-2-propenylacetamide;Eradicane;Eptam Super; |
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:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 2gm/kg (2000mg/kg) | "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 2, Pg. 75, 1977. |