Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
2-Amino-2-(3-methylthiophen-2-yl)acetic acid; |
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