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CAS No.: | 52857-42-8 |
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Name: | diethyl phosphorodithioate |
Molecular Structure: | |
Formula: | C4H11O2PS2 |
Molecular Weight: | 186.2327 |
Synonyms: | diethoxy-sulfanyl-sulfanylidene-phosphorane;Diethyl phosphorodithioic acid;Phosphorodithioic acid, diethyl ester;Diethyl phosphorodithioate; |
Density: | 1.214 g/cm3 |
Boiling Point: | 232.7 °C at 760 mmHg |
Flash Point: | 94.5 °C |
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The Diethyl dithiophosphate is an organic compound with the formula C4H11O2PS2. The systematic name of this chemical is O,O-diethyl hydrogen dithiophosphate. With the CAS registry number 52857-42-8, it is also named as phosphorodithioic acid, O,O-diethyl ester.
Physical properties about Diethyl dithiophosphate are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): -1.78; (3)ACD/LogD (pH 7.4): -1.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 85.66 Å2; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 46.1 cm3; (13)Molar Volume: 153.3 cm3; (14)Polarizability: 18.27×10-24cm3; (15)Surface Tension: 44.4 dyne/cm; (16)Density: 1.214 g/cm3; (17)Flash Point: 94.5 °C; (18)Enthalpy of Vaporization: 45.03 kJ/mol; (19)Boiling Point: 232.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0887 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=P(OCC)(OCC)S
(2)InChI: InChI=1/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
(3)InChIKey: IRDLUHRVLVEUHA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
(5)Std. InChIKey: IRDLUHRVLVEUHA-UHFFFAOYSA-N