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CAS No.: | 4052-59-9 |
---|---|
Name: | (-)-2-thienylglycine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C6H7NO2S |
Molecular Weight: | 157.193 |
Synonyms: | (-)-a-Amino-2-thiopheneacetic acid; |
EINECS: | 223-758-6 |
Density: | 1.418 g/cm3 |
Boiling Point: | 311.8 °C at 760 mmHg |
Flash Point: | 185.94 °C |
PSA: | 91.56000 |
LogP: | 1.53280 |
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The 2-Thiopheneacetic acid,a-amino-, (-)- is an organic compound with the formula C6H7NO2S. The IUPAC name of this chemical is 2-amino-2-thiophen-2-ylacetic acid. With the CAS registry number 4052-59-9, it is also named as N-thiophen-2-ylglycine.
Physical properties about 2-Thiopheneacetic acid,a-amino-, (-)- are: (1)ACD/LogP: 0.64; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 77.57 Å2; (10)Index of Refraction: 1.66; (11)Molar Refractivity: 40.444 cm3; (12)Molar Volume: 109.502 cm3; (13)Polarizability: 16.033×10-24cm3; (14)Surface Tension: 64.986 dyne/cm; (15)Density: 1.436 g/cm3; (16)Flash Point: 185.94 °C; (17)Enthalpy of Vaporization: 66.709 kJ/mol; (18)Boiling Point: 383.841 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CNc1cccs1
(2)InChI: InChI=1/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)
(3)InChIKey: UNQHGXLQKSZYQU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)
(5)Std. InChIKey: UNQHGXLQKSZYQU-UHFFFAOYSA-N