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Basic Information
CAS No.: 22951-96-8
Name: L-2-THIENYLALANINE
Article Data: 2
Molecular Structure:
Molecular Structure of 22951-96-8 (L-2-THIENYLALANINE)
Formula: C7H9NO2S
Molecular Weight: 171.22
Synonyms: 2-Thiophenepropanoicacid, a-amino-, (S)-;2-Thiophenepropionic acid, a-amino-, L- (8CI);3-(2-Thienyl)-L-alanine;L-(2-Thienyl)alanine;L-3-(2-Thienyl)alanine;b-(2-Thienyl)-L-alanine;
Density: 1.349 g/cm3
Melting Point: 255-263 °C (dec.)(lit.)
Boiling Point: 315.9 °C at 760 mmHg
Flash Point: 144.9 °C
Solubility: Slightly soluble in water.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 91.56000
LogP: 1.40280
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Specification

The 2-Thiophenepropanoicacid, alpha-amino-, (alphaS)-, with the CAS registry number 22951-96-8, is also known as (S)-alpha-Amino-2-thiophenepropionic acid. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-Amino. This chemical's molecular formula is C7H9NO2S and molecular weight is 171.21686. Its IUPAC name is called (2S)-2-amino-3-thiophen-2-ylpropanoic acid.

Physical properties of 2-Thiophenepropanoicacid, alpha-amino-, (alphaS)-: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): -1.71; (3)ACD/LogD (pH 7.4): -1.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 43.87 cm3; (13)Molar Volume: 126.9 cm3; (14)Surface Tension: 61.2 dyne/cm; (15)Density: 1.349 g/cm3; (16)Flash Point: 144.9 °C; (17)Enthalpy of Vaporization: 58.83 kJ/mol; (18)Boiling Point: 315.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000179 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)CC(C(=O)O)N
(2)Isomeric SMILES: C1=CSC(=C1)C[C@@H](C(=O)O)N
(3)InChI: InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
(4)InChIKey: WTOFYLAWDLQMBZ-LURJTMIESA-N