CAS No.94159-31-6,2-(4-Methylthiazol-5-yl)ethyl butyrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	94159-31-6
Name:	2-(4-Methylthiazol-5-yl)ethyl butyrate

Formula:	C₁₀H₁₅NO₂S
Molecular Weight:	213.301
Synonyms:	2-(4-Methyl-1,3-thiazol-5-yl)ethyl butanoate;
EINECS:	303-209-8
Density:	1.118 g/cm³
Boiling Point:	307.047 °C at 760 mmHg
Flash Point:	139.497 °C
Appearance:	Colorless to yellow liquid
PSA:	67.43000
LogP:	2.33730

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Specification

The IUPAC name of 2-(4-Methylthiazol-5-yl)ethyl butyrate is 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate. With the CAS registry number 94159-31-6, it is also named as 2-(4-Methyl-1,3-thiazol-5-yl)ethyl butanoate. The product is colorless to yellow liquid. In addition, its molecular formula is C₁₀H₁₅NO₂S and its molecular weight is 213.30.

The other characteristics of 2-(4-Methylthiazol-5-yl)ethyl butyrate can be summarized as: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.92; (6)ACD/BCF (pH 7.4): 21.04; (7)ACD/KOC (pH 5.5): 306.29; (8)ACD/KOC (pH 7.4): 308.06; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 6; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 57.4 cm³; (15)Molar Volume: 190.7 cm³; (16)Polarizability: 22.75×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.118 g/cm³; (19)Flash Point: 139.5 °C; (20)Enthalpy of Vaporization: 54.76 kJ/mol; (21)Boiling Point: 307 °C at 760 mmHg; (22)Vapour Pressure: 0.000743 mmHg at 25 °C; (23) EINECS: 303-209-8.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OCCc1scnc1C)CCC
(2)InChI:InChI=1/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3
(3)InChIKey:GDRZNYCKSKHESZ-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3
(5)Std. InChIKey:GDRZNYCKSKHESZ-UHFFFAOYSA-N