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Cas Database |
| Name |
Aceticacid, 2-[(4-methylphenyl)thio]-, ethyl ester |
EINECS | N/A |
| CAS No. | 14738-27-3 | Density | 1.11 g/cm3 |
| PSA | 51.60000 | LogP | 2.65020 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H14O2S | Boiling Point | 291.3 °C at 760 mmHg |
| Molecular Weight | 210.297 | Flash Point | 129 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, (p-tolylthio)-, ethyl ester (7CI,8CI);Acetic acid,[(4-methylphenyl)thio]-, ethyl ester (9CI);Ethyl 2-(p-tolylthio)acetate;Ethylp-tolylthioacetate;NSC 115071;Ethyl 2-(4-methylphenyl)sulfanylacetate;4-Methyl-(phenylthio) acetic acid ethyl ester;p-Tolylsulfanyl-acetic acid ethyl ester; |
Article Data | 30 |
Aceticacid, 2-[(4-methylphenyl)thio]-, ethyl ester Specification
The Aceticacid, 2-[(4-methylphenyl)thio]-, ethyl ester, with the CAS registry number 14738-27-3, is also known as p-Tolylsulfanyl-acetic acid ethyl ester. This chemical's molecular formula is C11H14O2S and molecular weight is 210.29. What's more, its IUPAC name is ethyl 2-(4-methylphenyl)sulfanylacetate.
Physical properties of Aceticacid, 2-[(4-methylphenyl)thio]-, ethyl ester are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 51.6 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 59.76 cm3; (9)Molar Volume: 189.2 cm3; (10)Polarizability: 23.69×10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.11 g/cm3; (13)Flash Point: 129 °C; (14)Enthalpy of Vaporization: 53.07 kJ/mol; (15)Boiling Point: 291.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00196 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CSC1=CC=C(C=C1)C
(2)InChI: InChI=1S/C11H14O2S/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
(3)InChIKey: RJBCLDCLOCANCG-UHFFFAOYSA-N
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