-
Name
Ethanimidothioic acid,N,N'-[dithiobis[(methylimino)carbonyloxy]]bis-, bis(2-cyanoethyl) ester (9CI)
- EINECS
- CAS No. 68789-93-5
- Density 1.34g/cm3
- Solubility
- Melting Point
- Formula C14H20 N6 O4 S4
- Boiling Point 623°Cat760mmHg
- Molecular Weight 464.64
- Flash Point 330.6°C
- Transport Information
- Appearance
- Safety A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols A poison by ingestion.
- Synonyms
- PSA
- LogP
N,N'-Bis-(1-(2-cyanoethyl)thioacet aldehyde o-(n-methylcarbamoyl)-oxime) disulfide Chemical Properties
IUPAC Name: 2-cyanoethyl (1Z)-N-[[[(Z)-1-(2-cyanoethylsulfanyl)ethylideneamino]oxycarbonyl-methylamino]disulfanyl-methylcarbamoyl]oxyethanimidothioate
Synonyms of N,N'-Bis-(1-(2-cyanoethyl)thioacet aldehyde o-(n-methylcarbamoyl)-oxime) disulfide (CAS NO.68789-93-5): Bis(2-cyanoethyl) N,N'-(dithiobis((methylimino)carbonyloxy))diethanimidothioate ; Ethanimidothioic acid, N,N'-(dithiobis((methylimino)carbonyloxy))bis-, bis(2-cyanoethyl) ester
CAS NO: 68789-93-5
Molecular Formula of N,N'-Bis-(1-(2-cyanoethyl)thioacet aldehyde o-(n-methylcarbamoyl)-oxime) disulfide (CAS NO.68789-93-5): C14H20N6O4S4
Molecular Weight: 464.6064
H bond acceptors: 10
H bond donors: 0
Freely Rotating Bonds: 13
Polar Surface Area: 232.58 Å2
Index of Refraction: 1.613
Molar Refractivity: 119.904 cm3
Molar Volume: 344.585 cm3
Surface Tension: 54.114 dyne/cm
Density of N,N'-Bis-(1-(2-cyanoethyl)thioacet aldehyde o-(n-methylcarbamoyl)-oxime) disulfide (CAS NO.68789-93-5): 1.348 g/cm3
Flash Point: 330.608 °C
Enthalpy of Vaporization: 92.287 kJ/mol
Boiling Point: 623.049 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Molecular Structure:
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N,N'-Bis-(1-(2-cyanoethyl)thioacet aldehyde o-(n-methylcarbamoyl)-oxime) disulfide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 80mg/kg (80mg/kg) | German Offenlegungsschrift Patent Document. Vol. #2813281, |
N,N'-Bis-(1-(2-cyanoethyl)thioacet aldehyde o-(n-methylcarbamoyl)-oxime) disulfide Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
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