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14129-98-7

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Basic Information
CAS No.: 14129-98-7
Name: PHOSPHOROTHIOICTRIMORPHOLIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 14129-98-7 (PHOSPHOROTHIOICTRIMORPHOLIDE)
Formula: C12H24 N3 O3 P S
Molecular Weight: 321.381
Synonyms: Phosphinesulfide, trimorpholino- (8CI); NSC 202920; Thiophosphoric acid trimorpholide
Density: 1.32g/cm3
Boiling Point: 455.7°Cat760mmHg
Flash Point: 229.4°C
Solubility: 3.21g/L(25 oC)
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, SOx and POx.
PSA: 79.31000
LogP: 0.67180
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Chemistry

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

Toxicity Data With Reference

1.    

mor-ham-kdy 2500 µg/

     BJCAAI    British Journal of Cancer. 38 (1978),418.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, SOx and POx.

Specification

 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- .