Leucoson supplier | CasNO.1950-36-3

Name
Leucoson
EINECS
CAS No. 1950-36-3
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇NO₄S
Boiling Point 479.492 °C at 760 mmHg
Molecular Weight 295.359
Flash Point 243.788 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 100.93000
LogP 1.77780

Leucoson Specification

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

Product Name

Leucoson

Leucoson Specification

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