Molecular Structure of Methyl [(dimethoxyphosphinothioyl)thio]acetate (CAS No.757-86-8):
Molecular Formula: C5H11O4PS2
Molecular Weight: 230.2422
CAS No: 757-86-8
IUPAC Name: Methyl 2-dimethoxyphosphinothioylsulfanylacetate
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 111.96 Å2
Index of Refraction: 1.519
Molar Refractivity: 52.6 cm3
Molar Volume: 173.2 cm3
Surface Tension: 49.4 dyne/cm
Density: 1.328 g/cm3
Flash Point: 110.3 °C
Enthalpy of Vaporization: 49.63 kJ/mol
Boiling Point: 258.7 °C at 760 mmHg
Vapour Pressure: 0.0135 mmHg at 25°C
InChI: InChI=1/C5H11O4PS2/c1-7-5(6)4-12-10(11,8-2)9-3/h4H2,1-3H3
InChIKey: PLZVCZLWZIJPPO-UHFFFAOYAF
Std. InChI: InChI=1S/C5H11O4PS2/c1-7-5(6)4-12-10(11,8-2)9-3/h4H2,1-3H3
Std. InChIKey: PLZVCZLWZIJPPO-UHFFFAOYSA-N
Methyl [(dimethoxyphosphinothioyl)thio]acetate (CAS No.757-86-8), its synonyms are Acetic acid, 2-[(dimethoxyphosphinothioyl)thio]-, methyl ester ; Methyl [(dimethoxyphosphorothioyl)sulfanyl]acetate .
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