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| CAS No.: | 19432-68-9 |
|---|---|
| Name: | Methyl 2-thienylacetate |
| Article Data: | 39 |
| Molecular Structure: | |
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| Formula: | C7H8O2S |
| Molecular Weight: | 156.205 |
| Synonyms: | Methyl(2-thienyl)acetate;Methyl 2-thiopheneacetate; |
| EINECS: | 243-054-2 |
| Density: | 1.185 g/cm3 |
| Boiling Point: | 206.7 °C at 760 mmHg |
| Flash Point: | 78.8 °C |
| Safety: | 23-24/25 |
| PSA: | 54.54000 |
| LogP: | 1.46360 |
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Specification
The Methyl 2-thienylacetate with the CAS number 19432-68-9 is also called 2-Thiopheneacetic acid,methyl ester. The IUPAC name is methyl 2-thiophen-2-ylacetate. Its molecular formula is C7H8O2S. The EINECS registry number is 243-054-2. The product category is Heterocyclic Compounds. While using this chemical, you should take the following instructions. Firstly, you should not breathe vapour. Secondly, you should avoid this chemical contact with skin and eyes.
The properties of the Methyl 2-thienylacetate are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.46; (6)ACD/BCF (pH 7.4): 10.46; (7)ACD/KOC (pH 5.5): 186.78; (8)ACD/KOC (pH 7.4): 186.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 40.59 cm3; (15)Molar Volume: 131.7 cm3; (16)Polarizability: 16.09×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Enthalpy of Vaporization: 44.29 kJ/mol; (19)Vapour Pressure: 0.235 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc1sccc1
(2)InChI: InChI=1/C7H8O2S/c1-9-7(8)5-6-3-2-4-10-6/h2-4H,5H2,1H3
(3)InChIKey: KNKIXYMOHMYZJR-UHFFFAOYAD