Product Name

  • Name

    Thiophosphoric acid dihydrogen S-(2-amino-2-methylpropyl) ester

  • EINECS
  • CAS No. 7447-44-1
  • Article Data2
  • CAS DataBase
  • Density 1.409g/cm3
  • Solubility
  • Melting Point
  • Formula C4H12NO3PS
  • Boiling Point 360.2°Cat760mmHg
  • Molecular Weight 185.184
  • Flash Point 171.7°C
  • Transport Information
  • Appearance
  • 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
  • Molecular Structure Molecular Structure of 7447-44-1 (Thiophosphoric acid dihydrogen S-(2-amino-2-methylpropyl) ester)
  • Hazard Symbols
  • Synonyms S-2-Amino-2-methylpropylphosphorothioic Acid;
  • PSA 118.66000
  • LogP 1.24990

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:
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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