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Amino-(3-methyl-thiophen-2-yl)-acetic acid

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Name

Amino-(3-methyl-thiophen-2-yl)-acetic acid

EINECS N/A
CAS No. 500718-18-3 Density 1.347 g/cm3
PSA 91.56000 LogP 1.84120
Solubility N/A Melting Point N/A
Formula C7H9NO2S Boiling Point 324.6 °C at 760 mmHg
Molecular Weight 171.22 Flash Point 150.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 500718-18-3 (Amino-(3-methyl-thiophen-2-yl)-acetic acid) Hazard Symbols N/A
Synonyms

2-Amino-2-(3-methylthiophen-2-yl)acetic acid;

 

Amino-(3-methyl-thiophen-2-yl)-acetic acid Specification

This chemical has the systematic name Amino-(3-methyl-thiophen-2-yl)-acetic acid. With the CAS registry number 500718-18-3, it is also known as 2-amino-2-(3-methylthiophen-2-yl)acetic acid. Its molecular formula is C7H9NO2S and its molecular weight is 171.22.

Other characteristics of the Amino-(3-methyl-thiophen-2-yl)-acetic acid can be summarised as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.42; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.78 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 44.11 cm3; (15)Molar Volume: 127 cm3; (16)Polarizability: 17.48×10-24cm3; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 150.1 °C; (20)Enthalpy of Vaporization: 59.81 kJ/mol; (21)Boiling Point: 324.6 °C at 760 mmHg; (22)Vapour Pressure: 9.96E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:  
1.SMILES: O=C(O)C(N)c1sccc1C
2.InChI: InChI=1/C7H9NO2S/c1-4-2-3-11-6(4)5(8)7(9)10/h2-3,5H,8H2,1H3,(H,9,10)
3.InChIKey: PHUPHROQPYXKBX-UHFFFAOYAA

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