Copper(I) thiophene-2-carboxylate (68986-76-5)

The Copper(I) thiophene-2-carboxylate, with CAS registry number 68986-76-5, belongs to the following product categories: Catalysts-Ligands. It has the systematic name of copper(1+) thiophene-2-carboxylate. And it is also called 2-Thiophenecarboxylic acid, copper(1+) salt (1:1).

Physical properties about this chemical are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -1.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.85; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.54 Å²; (13)Enthalpy of Vaporization: 52.58 kJ/mol; (14)Vapour Pressure: 0.00639 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Copper(I) thiophene-2-carboxylate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cu+].[O-]C(=O)c1sccc1
(2)InChI: InChI=1/C5H4O2S.Cu/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
(3)InChIKey: SFJMFSWCBVEHBA-REWHXWOFAY
(4)Std. InChI: InChI=1S/C5H4O2S.Cu/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
(5)Std. InChIKey: SFJMFSWCBVEHBA-UHFFFAOYSA-M