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350988-88-4

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Basic Information
CAS No.: 350988-88-4
Name: 2-AMINO-5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
Molecular Structure:
Molecular Structure of 350988-88-4 (2-AMINO-5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER)
Formula: C13H13NO2S
Molecular Weight: 247.31
Synonyms: 2-Amino-5-methyl-4-phenylthiophene-3-carboxylicacid methyl ester;
Density: 1.232 g/cm3
Melting Point: 113-114℃
Boiling Point: 373.8 °C at 760 mmHg
Flash Point: 179.9 °C
Hazard Symbols: Xi,Xn
Risk Codes: 22
PSA: 80.56000
LogP: 3.67350
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Specification

This chemical is called 3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester, and its systematic name is methyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate. With the molecular formula of C13H13NO2S, its molecular weight is  247.31. The CAS registry number of this chemical is 350988-88-4.

Other characteristics of the 3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 57.78 Å2; (7)Index of Refraction: 1.615; (8)Molar Refractivity: 70.06 cm3; (9)Molar Volume: 200.6 cm3; (10)Polarizability: 27.77×10-24cm3; (11)Surface Tension: 49.4 dyne/cm; (12)Density: 1.232 g/cm3; (13)Flash Point: 179.9 °C; (14)Enthalpy of Vaporization: 62.11 kJ/mol; (15)Boiling Point: 373.8 °C at 760 mmHg; (16)Vapour Pressure: 8.72E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC)c2c(c1ccccc1)c(sc2N)C
2.InChI: InChI=1/C13H13NO2S/c1-8-10(9-6-4-3-5-7-9)11(12(14)17-8)13(15)16-2/h3-7H,14H2,1-2H3
3.InChIKey: AIHYNLWSPTZXGT-UHFFFAOYAX