Basic Information | Post buying leads | Suppliers |
Name |
S-2,6-Diaminohexyl dihydrogen phosphorothioate dihydrate |
EINECS | N/A |
CAS No. | 70561-82-9 | Density | 1.355g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H17 N2 O3 P S | Boiling Point | 456.5°C at 760 mmHg |
Molecular Weight | 228.252 | Flash Point | 229.9°C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx. See also ESTERS. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Hexanethiol,2,6-diamino-, dihydrogen phosphate (ester), (?à)-; NSC 335660; WR 176542 |
IUPAC Name: 2,6-diaminohexylsulfanylphosphonic acid
Synonyms of S-2,6-Diaminohexyl dihydrogen phosphorothioate dihydrate (CAS NO.70561-82-9): Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate
InChI: InChI=1/C6H17N2O3PS/c7-4-2-1-3-6(8)5-13-12(9,10)11/h6H,1-5,7-8H2,(H2,9,10,11)
CAS NO: 70561-82-9
Molecular Formula: C6H17N2O3PS
Molecular Weight : 228.249541 g/mol
Molecular Structure:
H bond acceptors: 5
H bond donors: 6
Freely Rotating Bonds: 9
Polar Surface Area: 77.12 Å2
Index of Refraction: 1.564
Molar Refractivity: 54.81 cm3
Molar Volume: 168.4 cm3
Surface Tension: 67.3 dyne/cm
Density: 1.355 g/cm3
Flash Point: 229.9 °C
Enthalpy of Vaporization: 78.52 kJ/mol
Boiling Point: 456.5 °C at 760 mmHg
Vapour Pressure: 1.33E-09 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 450mg/kg (450mg/kg) | Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979. | |
mouse | LD50 | oral | 900mg/kg (900mg/kg) | Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979. |
Moderately toxic by ingestion and intraperitoneal routes. When S-2,6-Diaminohexyl dihydrogen phosphorothioate dihydrate (CAS NO.70561-82-9) is heated to decomposition, it emits very toxic fumes of NOx, POx, and SOx. See also ESTERS.