Methyl 2-amino-5-phenylthiophene-3-carboxylate supplier

Name
Methyl 2-amino-5-phenylthiophene-3-carboxylate
EINECS
CAS No. 61325-02-8
Article Data14
CAS DataBase
Density 1.265 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO₂S
Boiling Point 405.7 °C at 760 mmHg
Molecular Weight 233.291
Flash Point 199.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-5-phenylthiophene-3-carboxylic acid methyl ester;
PSA 80.56000
LogP 3.36510

Methyl 2-amino-5-phenylthiophene-3-carboxylate Specification

The IUPAC name of Methyl 2-amino-5-phenylthiophene-3-carboxylate is Methyl 2-amino-5-phenylthiophene-3-carboxylate. With the CAS registry number 61325-02-8, it is also named as 2-Amino-5-phenylthiophene-3-carboxylic acid methyl ester. In addition, its molecular formula is C₁₂H₁₁NO₂S and its molecular weight is 233.29.

The other characteristics of Methyl 2-amino-5-phenylthiophene-3-carboxylate can be summarized as: (1)XLogP3-AA: 3.3; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 3; (5)Tautomer Count: 3; (6)Exact Mass: 233.051049; (7)MonoIsotopic Mass: 233.051049; (8)Topological Polar Surface Area: 80.6; (9)Heavy Atom Count: 16; (10)Complexity: 253; (11)Freely Rotating Bonds: 4; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 65.23 cm³; (14)Molar Volume: 184.3 cm³; (15)Polarizability: 25.86×10^-24cm³; (16)Surface Tension: 51.7 dyne/cm; (17)Density: 1.265 g/cm³; (18)Flash Point: 199.1 °C; (19)Enthalpy of Vaporization: 65.73 kJ/mol; (20)Boiling Point: 405.7 °C at 760 mmHg; (21)Vapour Pressure: 8.62E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC)c1cc(sc1N)c2ccccc2
(2)InChI:InChI=1/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(3)InChIKey:QKYRXLPXSJZIQM-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(5)Std. InChIKey:QKYRXLPXSJZIQM-UHFFFAOYSA-N

Product Name

Methyl 2-amino-5-phenylthiophene-3-carboxylate

Methyl 2-amino-5-phenylthiophene-3-carboxylate Specification

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