CAS No.1194-87-2,L-ALPHA-(3-THIENYL)GLYCINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1194-87-2
Name:	L-ALPHA-(3-THIENYL)GLYCINE
Article Data:	1

Formula:	C₆H₇NO₂S
Molecular Weight:	157.19
Synonyms:	3-Thiopheneaceticacid, a-amino-, (S)-;
Density:	1.418 g/cm³
Melting Point:	218-221 °C
Boiling Point:	317.5 °C at 760 mmHg
Flash Point:	145.8 °C
PSA:	91.56000
LogP:	1.53280

Total:33 Page 1 of 1 1

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Specification

This chemical is called L-α-(3-Thienyl)glycine, and its IUPAC name is (2S)-2-amino-2-thiophen-3-ylacetic acid. With the molecular formula of C₆H₇NO₂S, its molecular weight is 157.19. The CAS registry number of this chemical is 1194-87-2. Additionally, its product categories are Unusual Amino Acids; Amino Acid Derivatives; Amino Acids; I - Z; Modified Amino Acids.

Other characteristics of the L-α-(3-Thienyl)glycine can be summarised as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 91.56 Å²; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 39.28 cm³; (13)Molar Volume: 110.7 cm³; (14)Polarizability: 15.57×10^-24cm³; (15)Surface Tension: 66.6 dyne/cm; (16)Density: 1.418 g/cm³; (17)Flash Point: 145.8 °C; (18)Enthalpy of Vaporization: 59.01 kJ/mol; (19)Boiling Point: 317.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H](N)c1ccsc1
2.InChI: InChI=1/C6H7NO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9)/t5-/m0/s1
3.InChIKey: BVGBBSAQOQTNGF-YFKPBYRVBK