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CAS No.: | 103181-68-6 |
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Name: | Thiazolidine, 2-((2-methoxyphenoxy)methyl)- |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H15NO2S |
Molecular Weight: | 225.312 |
Synonyms: | 2-(2-Methoxy-phenoxymethyl)-thiazolidine; |
EINECS: | 1806241-263-5 |
Density: | 1.139 g/cm3 |
Boiling Point: | 359.6 °C at 760 mmHg |
Flash Point: | 171.3 °C |
PSA: | 55.79000 |
LogP: | 2.06530 |
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The Thiazolidine,2-[(2-methoxyphenoxy)methyl]-, with the CAS registry number 103181-68-6, is also known as 2-(2-Methoxy-phenoxymethyl)-thiazolidine. This chemical's molecular formula is C11H15NO2S and molecular weight is 225.31. What's more, its systematic name is 2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine.
Physical properties of Thiazolidine,2-[(2-methoxyphenoxy)methyl]- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 36.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 62.96 cm3; (15)Molar Volume: 197.6 cm3; (16)Polarizability: 24.96×10-24 cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 171.3 °C; (20)Enthalpy of Vaporization: 60.52 kJ/mol; (21)Boiling Point: 359.6 °C at 760 mmHg; (22)Vapour Pressure: 2.36×10-5 mmHg at 25 °C.
Uses of Thiazolidine,2-[(2-methoxyphenoxy)methyl]-: it can be used to produce 1-[2-(2-methoxy-phenoxymethyl)-thiazolidin-3-yl]-butane-1,3-dione at the temperature of 20 °C. It will need solvent acetone with the reaction time of 1 hour. The yield is about 68%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(OC)cccc1)CC2SCCN2
(2)InChI: InChI=1/C11H15NO2S/c1-13-9-4-2-3-5-10(9)14-8-11-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3
(3)InChIKey: RVDKSQDMEIWCNB-UHFFFAOYAX