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Omadine

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Name

Omadine

EINECS 256-115-3
CAS No. 43143-11-9 Density
Solubility Melting Point
Formula C10H8MgN2O6S3 Boiling Point 582.8 °C at 760 mmHg
Molecular Weight 372.68 Flash Point 306.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 43143-11-9 (Magnesium,[2,2'-(dithio-kS1)bis[pyridine]1,1'-di(oxide-kO)][sulfato(2-)-kO]-, (T-4)-) Hazard Symbols
Synonyms

Magnesium,[2,2'-(dithio-kS)bis[pyridine]1,1'-di(oxide-kO)][sulfato(2-)-kO]-, (T-4)- (9CI);Magnesium,[2,2'-dithiobis[pyridine] 1,1'-dioxide-O,O',S][sulfato(2-)-O]-, (T-4)-;Pyridine, 2,2'-dithiobis-, 1,1'-dioxide, magnesium complex;Bis(2-pyridyl1-oxide) disulfide magnesium sulfate;[Bis(2-pyridyl 1-oxide) disulfide] magnesium sulfate (1:1) adduct;

 

Omadine Consensus Reports

Reported in EPA TSCA Inventory.

Omadine Specification

The systematic name of Magnesium,[2,2'-dithiobis[pyridine] 1,1'-dioxide-O,O',S][sulfato(2-)-O]-, (T-4)- is magnesium sulfate - 2,2'-disulfanediylbis(pyridine) 1,1'-dioxide (1:1:1). With the CAS registry number 43143-11-9 and EINECS 256-115-3, it is also named as Omadine MDS. The classification code is Reproductive Effect and other registry numbers are 70849-05-7 and 71724-05-5. In addition, the molecular formula is C10H8MgN2O6S3 and molecular weight is 372.68. When heated to decomposition it emits toxic fumes of SOx and NOx.

The other characteristics of Magnesium,[2,2'-dithiobis[pyridine] 1,1'-dioxide-O,O',S][sulfato(2-)-O]-, (T-4)- can be summarized as: (1)ACD/LogP: -2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.43; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.14; (8)ACD/KOC (pH 7.4): 1.14; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 98.82 Å2; (13)Flash Point: 306.2 °C; (14)Enthalpy of Vaporization: 83.89 kJ/mol; (15)Boiling Point: 582.8 °C at 760 mmHg; (16)Vapour Pressure: 5.82E-13 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:[Mg+2].[O-]S([O-])(=O)=O.[O-][n+]2c(SSc1[n+]([O-])cccc1)cccc2
2. InChI:InChI=1/C10H8N2O2S2.Mg.H2O4S/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;;1-5(2,3)4/h1-8H;;(H2,1,2,3,4)/q;+2;/p-2 
3. InChIKey:GICMNOWCGVPPPO-NUQVWONBAK
4. Std. InChI:InChI=1S/C10H8N2O2S2.Mg.H2O4S/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;;1-5(2,3)4/h1-8H;;(H2,1,2,3,4)/q;+2;/p-2 
5. Std. InChIKey:GICMNOWCGVPPPO-UHFFFAOYSA-L

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