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| CAS No.: | 76575-71-8 |
|---|---|
| Name: | METHYL 3-AMINO-5-METHYLTHIOPHENE-2-CARBOXYLATE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H9NO2S |
| Molecular Weight: | 171.22 |
| Synonyms: | Methyl3-amino-5-methylthiophene-2-carboxylate;methyl 3-amino-5-methylthiophene-2-carboxylate;2-Thiophenecarboxylic acid, 3-amino-5-methyl-, methyl ester;3-Amino-5-methyl-thiophene-2-carboxylic acid; methyl ester; |
| Density: | 1.264 g/cm3 |
| Melting Point: | 84-85℃ (methanol ) |
| Boiling Point: | 319.2 °C at 760 mmHg |
| Flash Point: | 146.9 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
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| PSA: | 80.56000 |
| LogP: | 2.00650 |
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Specification
The 2-Thiophenecarboxylicacid, 3-amino-5-methyl-, methyl ester, with the CAS registry number 76575-71-8, has the systematic name of methyl 3-amino-5-methylthiophene-2-carboxylate. It is irritant chemical, and the molecular formula of this chemical is C7H9NO2S.
The physical properties of 5-Bromo-4-methylpyridine-2-carbonitrile are as following: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 57.78 Å2; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 45.47 cm3; (9)Molar Volume: 135.3 cm3; (10)Polarizability: 18.02×10-24cm3; (11)Surface Tension: 49.3 dyne/cm; (12)Density: 1.264 g/cm3; (13)Flash Point: 146.9 °C; (14)Enthalpy of Vaporization: 56.08 kJ/mol; (15)Boiling Point: 319.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000343 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1sc(cc1N)C
(2)InChI: InChI=1/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3
(3)InChIKey: FVKMOPIFLCMZMI-UHFFFAOYAD