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Molecule structure of Thiophosphoric acid trimorpholide (CAS NO.14129-98-7) :
IUPAC Name of Thiophosphoric acid trimorpholide (CAS NO.14129-98-7) : trimorpholin-4-yl(sulfanylidene)-λ5-phosphane
Molecular Weight: 321.376021 g/mol
Molecular Formula: C12H24N3O3PS
Density: 1.32 g/cm3
Boiling Point: 455.7 °C at 760 mmHg
Flash Point: 229.4 °C
Index of Refraction: 1.591
Molar Refractivity: 82.09 cm3
Molar Volume: 242.6 cm3
Polarizability: 32.54×10-24 cm3
Surface Tension: 59.9 dyne/cm
Enthalpy of Vaporization: 71.55 kJ/mol
Vapour Pressure: 1.73E-08 mmHg at 25 °C
log P (octanol-water): -0.220
Water Solubility: 3220 mg/L
Atmospheric OH Rate Constant: 2.77E-10 cm3/molecule-sec
XLogP3: 0.1
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 321.127599
MonoIsotopic Mass: 321.127599
Topological Polar Surface Area: 37.4
Heavy Atom Count: 20
Complexity: 304
Canonical SMILES: C1COCCN1P(=S)(N2CCOCC2)N3CCOCC3
InChI: InChI=1S/C12H24N3O3PS/c20-19(13-1-7-16-8-2-13,14-3-9-17-10-4-14)15-5-11-18-12-6-15/h1-12H2
InChIKey: JXAVLJWUECDWKI-UHFFFAOYSA-N
1. | mor-ham-kdy 2500 µg/ | BJCAAI British Journal of Cancer. 38 (1978),418. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, SOx and POx.
Thiophosphoric acid trimorpholide (CAS NO.14129-98-7) is also called 4-27-00-00635 (Beilstein Handbook Reference) ; AI3-50979 ; BRN 0280156 ; NSC 202920 ; Phosphorothioic trimorpholide ; Morpholine, 4,4',4''-phosphinothioyldynetris- (9CI) ; Morpholine, 4,4',4''-phosphinothioylidynetris- ; Phosphine sulfide, trimorpholino- .