Eradicane E supplier | CasNO.51990-04-6

Name
Eradicane E
EINECS
CAS No. 51990-04-6
Density
Solubility
Melting Point
Formula C₈H₁₁Cl₂NO^.C₉H₁₉NOS
Boiling Point 254.4 °C at 760 mmHg
Molecular Weight 397.40
Flash Point 107.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamothioic acid,dipropyl-,S-ethyl ester,mixt. with 2,2-dichloro-N,N-di-2-propenylacetamide;Eradicane;Eptam Super;
PSA 65.92000
LogP 4.97220

Eradicane E Specification

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.

Product Name

Eradicane E

Eradicane E Specification

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