Abol-X supplier | CasNO.107959-15-9

Name
Phosphorodithioic acid, S-((4,6-diamino-1,3,5-triazin-2-yl)methyl) O,O -dimethyl ester, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)- 1,2,3,4,5,6-hexachlorocyclohexane
EINECS
CAS No. 107959-15-9
Density
Solubility
Melting Point
Formula C₁₂H₁₈Cl₆N₅O₂PS₂
Boiling Point 503.2 °C at 760 mmHg
Molecular Weight 572.125381
Flash Point 258.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine; 1,2,3,4,5,6-hexachlorocyclohexane;Phosphorodithioic acid, S-((4,6-diamino-1,3,5-triazin-2-yl)methyl) O,O-dimethyl ester, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane;Phosphorodithioic acid,esters,S-[(4,6-diamino-1,3,5-triazin- 2-yl)methyl] O,O-dimethyl ester,mixt. with (1R,2R,3a,4R,5R,6a)-1,2,3,4,5,6-hexachlorocyclohexane;
PSA 177.83000
LogP 4.94170

Abol-X Specification

The Abol-X, with the CAS registry number 107959-15-9, is also known as Phosphorodithioic acid, S-((4,6-diamino-1,3,5-triazin-2-yl)methyl) O,O-dimethyl ester, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane. This chemical's molecular formula is C₁₂H₁₈Cl₆N₅O₂PS₂ and molecular weight is 572.125381. Its IUPAC name is called 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine; 1,2,3,4,5,6-hexachlorocyclohexane.

Physical properties of Abol-X: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.01; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.43; (5)ACD/BCF (pH 7.4): 3.51; (6)ACD/KOC (pH 5.5): 83.6; (7)ACD/KOC (pH 7.4): 85.51; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 258.1 °C; (12)Enthalpy of Vaporization: 77.24 kJ/mol; (13)Boiling Point: 503.2 °C at 760 mmHg; (14)Vapour Pressure: 2.98E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COP(=S)(OC)SCC1=NC(=NC(=N1)N)N.C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
(2)InChI: InChI=1S/C6H6Cl6.C6H12N5O2PS2/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h1-6H;3H2,1-2H3,(H4,7,8,9,10,11)
(3)InChIKey: HILBFYBSIOQXBC-UHFFFAOYSA-N

Product Name

Phosphorodithioic acid, S-((4,6-diamino-1,3,5-triazin-2-yl)methyl) O,O -dimethyl ester, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)- 1,2,3,4,5,6-hexachlorocyclohexane

Abol-X Specification

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