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CAS No.: | 142033-88-3 |
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Name: | (4S,5R)-2-[(S)-Ethylsulfinyl]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine 2-oxide |
Molecular Structure: | |
Formula: | C12H18NO3PS |
Molecular Weight: | 287.315 |
Synonyms: | (4S,5R)-2-[(S)-Ethylsulfinyl]-3,4-dimethyl-5-phenyl-1,3,2$l^{5}-oxazaphospholidine 2-oxide; |
Density: | 1.305 g/cm3 |
Boiling Point: | 415.049 °C at 760 mmHg |
Flash Point: | 204.815 °C |
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The (4S, 5R)-2-[(S)-ethylsulfinyl]-3, 4-dimethyl-5-phenyl-1, 3, 2-oxazaphospholidine 2-oxide has CAS registry number 142033-88-3. This chemical's molecular formula is C12H18NO3PS and molecular weight is 287.315. What's more, its IUPAC name is (4S, 5R)-2-[(S)-Ethylsulfinyl]-3, 4-dimethyl-5-phenyl-1, 3, 2$l^{5}-oxazaphospholidine 2-oxide.
Physical properties about (4S, 5R)-2-[(S)-ethylsulfinyl]-3, 4-dimethyl-5-phenyl-1, 3, 2-oxazaphospholidine 2-oxide are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 75.63 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 73.682 cm3; (9)Molar Volume: 220.19 cm3; (10)Polarizability: 29.21×10-24 cm3; (11)Surface Tension: 55.676 dyne/cm; (12)Density: 1.305 g/cm3; (13)Flash Point: 204.815 °C; (14)Enthalpy of Vaporization: 66.807 kJ/mol; (15)Boiling Point: 415.049 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P2(O[C@H](c1ccccc1)[C@@H](N2C)C)S(=O)CC
(2) InChI: InChI=1/C12H18NO3PS/c1-4-18(15)17(14)13(3)10(2)12(16-17)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3/t10-,12-,17?,18-/m0/s1
(3) InChIKey: XTAIFIVYMGSADX-ATHNVEQTBR