Basic Information | Post buying leads | Suppliers |
Name |
5-Oxo-1-(2-thiazolyl)-3-pyrrolidinecarboxylic acid |
EINECS | N/A |
CAS No. | 914637-54-0 | Density | 1.567 g/cm3 |
PSA | 98.74000 | LogP | 0.64560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8N2O3S | Boiling Point | 430.64 °C at 760 mmHg |
Molecular Weight | 212.23 | Flash Point | 214.244 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylciacid;3-pyrrolidinecarboxylic acid, 5-oxo-1-(2-thiazolyl)-; |
The 5-Oxo-1-(2-thiazolyl)-3-pyrrolidinecarboxylic acid, with the CAS registry number 914637-54-0, has the systematic name of 5-oxo-1-thiazol-2-yl-pyrrolidine-3-carboxylic acid. And the molecular formula of the chemical is C8H8N2O3S.
The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 98.74 Å2; (10)Index of Refraction: 1.646; (11)Molar Refractivity: 49.171 cm3; (12)Molar Volume: 135.413 cm3; (13)Polarizability: 19.493×10-24cm3; (14)Surface Tension: 81.228 dyne/cm; (15)Density: 1.567 g/cm3; (16)Flash Point: 214.244 °C; (17)Enthalpy of Vaporization: 72.326 kJ/mol; (18)Boiling Point: 430.64 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1csc(n1)N2CC(CC2=O)C(=O)O
(2)InChI: InChI=1/C8H8N2O3S/c11-6-3-5(7(12)13)4-10(6)8-9-1-2-14-8/h1-2,5H,3-4H2,(H,12,13)
(3)InChIKey: DCYJXQAGAJYLHW-UHFFFAOYAN