- 2-(4-Methylthiazol-5-yl)ethyl butyrate
- 2-(4-Methylthiazol-5-yl)ethyl hexanoate
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- 94159-32-7Hexanoicacid, 2-(4-methyl-5-thiazolyl)ethyl ester
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- 94159-38-3Aceticacid, dibromo-, 1,2-ethanediyl ester (9CI)
- 94159-43-0Ethanaminium,N-[4-[bis[4-(carboxymethoxy)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,inner salt
- 94159-45-2Benzoic acid,2-[[2-[[[2,4-bis(1-methylethyl)phenyl]sulfonyl]amino]benzoyl]amino]-, ethylester
- 94159-53-22,7-Naphthalenedisulfonicacid, 4-amino-3-[2-[4'-[2-(2-amino-4-hydroxyphenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-[2-(4-methoxyphenyl)diazenyl]-, sodium salt (1:2)
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- 94159-84-91,2-Undecanediol,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-
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| Name |
2-(4-Methylthiazol-5-yl)ethyl butyrate |
EINECS | 303-209-8 |
| CAS No. | 94159-31-6 | Density | 1.118 g/cm3 |
| PSA | 67.43000 | LogP | 2.33730 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H15NO2S | Boiling Point | 307.047 °C at 760 mmHg |
| Molecular Weight | 213.301 | Flash Point | 139.497 °C |
| Transport Information | N/A | Appearance | Colorless to yellow liquid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(4-Methyl-1,3-thiazol-5-yl)ethyl butanoate; |
2-(4-Methylthiazol-5-yl)ethyl butyrate 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
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