λ1-copper(1+) ion thiophene-2-carboxylate

• ChemBase ID: 10032
• Molecular Formular: C5H3CuO2S
• Molecular Mass: 190.68712
• Monoisotopic Mass: 189.91497284
• SMILES: c1ccsc1C(=O)[O-].[Cu+]
• Canonical SMILES: [O-]C(=O)c1cccs1.[Cu+]
• InChI: InChI=1S/C5H4O2S.Cu/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
• InChIKey: SFJMFSWCBVEHBA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-copper(1+) ion thiophene-2-carboxylate; $l^{1}-copper(1+) ion thiophene-2-carboxylate
• IUPAC Traditional name: λ^1-copper(1+) ion thiophene-2-carboxylate; $l^{1}-copper(1+) ion thiophene-2-carboxylate
• Synonyms: CuTC; Copper(I)-thiophene-2-carboxylate; Copper(I) thiophene-2-carboxylate

Database IDs

• CAS Number: 68986-76-5
• MDL Number: MFCD02183524
• PubChem SID: 160973339
• PubChem CID: 11194830
• Chemspider ID: 9369899
• Wikipedia Title: Copper(I)-thiophene-2-carboxylate

CALCULATED PROPERTIES

• Acid pKa: 3.3420606
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.59915835
• LogD (pH = 7.4): -1.8731365
• Log P: 1.5437101
• Molar Refractivity: 41.0412 cm^3
• Polarizability: 11.306306 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, AIR SENSITIVE, LIGHT SENSITIVE
• Risk Statements: R36/37/38
• Safety Statements: S26
• TSCA Listed: false
• Main Hazard: Irritant (Xi)

Product Information

• Purity: 96%