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Cas Database |
| Name |
S-2-Amino-2-methylpropyl dihydrogen phosphorothioate |
EINECS | N/A |
| CAS No. | 7447-44-1 | Density | 1.409g/cm3 |
| PSA | 118.66000 | LogP | 1.24990 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H12NO3PS | Boiling Point | 360.2°Cat760mmHg |
| Molecular Weight | 185.184 | Flash Point | 171.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion, intraperitoneal, and other unspecified routes. See also PHOSPHATES. When heated to decomposition it emits very toxic fumes of SOx, POx, and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
S-2-Amino-2-methylpropylphosphorothioic Acid; |
Article Data | 2 |
S-2-Amino-2-methylpropyl dihydrogen phosphorothioate Chemical Properties
IUPAC Name: (2-Amino-2-methylpropyl)sulfanylphosphonic acid
Synonyms of S-2-Amino-2-methylpropyl dihydrogen phosphorothioate (CAS NO.7447-44-1): Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester) ; S-(2-Amino-2-methylpropyl)phosphorothioate ; Phosphorothioic acid, S-(2-amino-2-methylpropyl) ester
InChI: InChI=1/C4H12NO3PS/c1-4(2,5)3-10-9(6,7)8/h3,5H2,1-2H3,(H2,6,7,8)
CAS NO: 7447-44-1
Molecular Formula: C4H12NO3PS
Molecular Weight : 185.1817
Molecular Structure: .png)
H bond acceptors: 4
H bond donors: 4
Freely Rotating Bonds: 4
Polar Surface Area: 73.88 Å2
Index of Refraction: 1.552
Molar Refractivity: 42.02 cm3
Molar Volume: 131.4 cm3
Surface Tension: 63.9 dyne/cm
Density: 1.409 g/cm3
Flash Point: 171.7 °C
Enthalpy of Vaporization: 66.56 kJ/mol
Boiling Point: 360.2 °C at 760 mmHg
Vapour Pressure: 3.63E-06 mmHg at 25°C
S-2-Amino-2-methylpropyl dihydrogen phosphorothioate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 803, 1975. | |
| mouse | LD50 | oral | 2800mg/kg (2800mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 803, 1975. | |
| mouse | LD50 | unreported | 750mg/kg (750mg/kg) | Journal of Medicinal Chemistry. Vol. 9, Pg. 911, 1966. |
S-2-Amino-2-methylpropyl dihydrogen phosphorothioate Safety Profile
Moderately toxic by ingestion, intraperitoneal, and other unspecified routes. See also PHOSPHATES. When S-2-Amino-2-methylpropyl dihydrogen phosphorothioate (CAS NO.7447-44-1) is heated to decomposition, it emits very toxic fumes of SOx, POx, and NOx.
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