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Name |
Leucoson |
EINECS | N/A |
CAS No. | 1950-36-3 | Density | 1.292 g/cm3 |
PSA | 100.93000 | LogP | 1.77780 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H17NO4S | Boiling Point | 479.492 °C at 760 mmHg |
Molecular Weight | 295.359 | Flash Point | 243.788 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Thiazolidineaceticacid, 4-carboxy-a-phenyl-,ethyl ester (6CI);2-Thiazolidineacetic acid, 4-carboxy-a-phenyl-, a-ethyl ester (9CI);Leucogen;Leukogen;Leyk;NSC 400257;Ethyl-4-carboxy alpha-phenyl-1,2-thiazolidine acetate; |
The IUPAC name of Leucoson is 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylic acid. With the CAS registry number 1950-36-3, it is also named as Ethyl-4-carboxy alpha-phenyl-1,2-thiazolidine acetate. In addition, its molecular formula is C14H17NO4S and molecular weight is 295.35.
The other characteristics of Leucoson can be summarized as: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.82; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.14 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 76.29 cm3; (15)Molar Volume: 228.5 cm3; (16)Polarizability: 30.24×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 243.8 °C; (20)Enthalpy of Vaporization: 78.35 kJ/mol; (21)Boiling Point: 479.5 °C at 760 mmHg; (22)Vapour Pressure: 5.28E-10 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C1NC(SC1)C(C(=O)OCC)c2ccccc2
(2)InChI: InChI=1/C14H17NO4S/c1-2-19-14(18)11(9-6-4-3-5-7-9)12-15-10(8-20-12)13(16)17/h3-7,10-12,15H,2,8H2,1H3,(H,16,17)
(3)InChIKey: XDBMTQVSHNQIFU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H17NO4S/c1-2-19-14(18)11(9-6-4-3-5-7-9)12-15-10(8-20-12)13(16)17/h3-7,10-12,15H,2,8H2,1H3,(H,16,17)
(5)Std. InChIKey: XDBMTQVSHNQIFU-UHFFFAOYSA-N