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Cas Database |
| Name |
Ethyl 2-(1-benzothiophen-3-yl)acetate |
EINECS | N/A |
| CAS No. | 7597-68-4 | Density | 1.208 g/cm3 |
| PSA | 54.54000 | LogP | 3.00690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H12O2S | Boiling Point | 331.8 °C at 760 mmHg |
| Molecular Weight | 220.29 | Flash Point | 154.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC 42320; |
Article Data | 4 |
Ethyl 2-(1-benzothiophen-3-yl)acetate Specification
The Ethyl 2-(1-benzothiophen-3-yl)acetate with its cas register number is 7597-68-4. It also can be called as and the IUPAC Name about this chemical is ethyl 2-(1-benzothiophen-3-yl)acetate.
Physical properties about Ethyl 2-(1-benzothiophen-3-yl)acetate are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 4; (3)Polar Surface Area: 54.54Å2; (4)Index of Refraction: 1.608; (5)Molar Refractivity: 63.06 cm3; (6)Molar Volume: 182.3 cm3; (7)Polarizability: 25x10-24cm3; (8)Surface Tension: 46.1 dyne/cm; (9)Enthalpy of Vaporization: 57.45 kJ/mol; (10)Vapour Pressure: 0.000152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CC1=CSC2=CC=CC=C21
(2)InChI: InChI=1S/C12H12O2S/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3
(3)InChIKey: QAJKYZFZTOKLRE-UHFFFAOYSA-N
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