-
Name
2-Amino-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester
- EINECS
- CAS No. 217962-82-8
- Density 1.237 g/cm3
- Solubility
- Melting Point
- Formula C11H16N2O3S
- Boiling Point 449.8 °C at 760 mmHg
- Molecular Weight 256.3213
- Flash Point 225.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Amino-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester;
- PSA 100.87000
- LogP 2.09840
3-Thiophenecarboxylicacid, 2-amino-5-[(dimethylamino)carbonyl]-4-methyl-, ethyl ester Specification
The 3-Thiophenecarboxylicacid, 2-amino-5-[(dimethylamino)carbonyl]-4-methyl-, ethyl ester, with the CAS registry number of 217962-82-8, is also known as 2-Amino-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester. It belongs to the product category of Thiophene. This chemical's molecular formula is C11H16N2O3S and molecular weight is 256.3213. What's more, its systematic name is Ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Physical properties about 3-Thiophenecarboxylicacid, 2-amino-5-[(dimethylamino)carbonyl]-4-methyl-, ethyl ester are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 78.09 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 68.48 cm3; (9)Molar Volume: 207.1 cm3; (10)Polarizability: 27.15×10-24 cm3; (11)Surface Tension: 49.3 dyne/cm; (12)Density: 1.237 g/cm3; (13)Flash Point: 225.8 °C; (14)Enthalpy of Vaporization: 70.86 kJ/mol; (15)Boiling Point: 449.8 °C at 760 mmHg; (16)Vapour Pressure: 2.78E-08 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: O=C(OCC)c1c(c(sc1N)C(=O)N(C)C)C
(2) InChI: InChI=1/C11H16N2O3S/c1-5-16-11(15)7-6(2)8(17-9(7)12)10(14)13(3)4/h5,12H2,1-4H3
(3) InChIKey: VOFMVGKEJXTNCQ-UHFFFAOYAU
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