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CAS No.: | 6278-47-3 |
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Name: | Phosphonothioicdiamide, N,N'-diethyl-P-phenyl- (6CI,8CI,9CI) |
Molecular Structure: | |
Formula: | C10H17N2PS |
Molecular Weight: | 228.298 |
Synonyms: | NSC 34707;N, N'-Diethyl-P-phenylphosphonothioic diamide; |
Density: | 1.11 g/cm3 |
Boiling Point: | 315.2 °C at 760 mmHg |
Flash Point: | 144.4 °C |
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The Phosphonothioicdiamide, N, N'-diethyl-P-phenyl- (6CI, 8CI, 9CI), with the CAS registry number 6278-47-3, is also known as N, N'-Diethyl-P-phenylphosphonothioic diamide. This chemical's molecular formula is C10H17N2PS and molecular weight is 228.2941. What's more, its IUPAC name is N-[Ethylamino(phenyl)phosphinothioyl]ethanamine.
Physical properties about Phosphonothioicdiamide, N, N'-diethyl-P-phenyl- (6CI, 8CI, 9CI) are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 48.38 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 66.31 cm3; (9)Molar Volume: 205.4 cm3; (10)Polarizability: 26.28×10-24 cm3; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.11 g/cm3; (13)Flash Point: 144.4 °C; (14)Enthalpy of Vaporization: 55.64 kJ/mol; (15)Boiling Point: 315.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000444 mmHg at 25 °C.
Preparation of Phosphonothioicdiamide, N, N'-diethyl-P-phenyl- (6CI, 8CI, 9CI): this chemical is prepared by reaction of Phenyl-phosphonothioic acid dichloride with Ethylamine. The yield is about 86 %.
You can still convert the following datas into molecular structure:
(1) SMILES: S=P(NCC)(NCC)c1ccccc1
(2) InChI: InChI=1/C10H17N2PS/c1-3-11-13(14,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,11,12,14)
(3) InChIKey: AHJMAIFQCPMLKD-UHFFFAOYAP