Copper(I) thiophene-2-carboxylate

C5H3CuO2SCAS 68986-76-5190.68 g/mol

Open in Covalent MOL file
OO−SCu+
Carboxylic acid

Properties

Molecular formula
C5H3CuO2S
Molar mass
190.68 g/mol
Exact mass
189.9150 Da
logP
0.11Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
68986-76-5
SMILES
O=C([O-])c1cccs1.[Cu+]
InChIKey
SFJMFSWCBVEHBA-UHFFFAOYSA-M
InChI
InChI=1S/C5H4O2S.Cu/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Copper, (2-thiophenecarboxylato-κO2,κS1)-
  • Copper, (2-thiophenecarboxylato-O2,S1)-
  • 2-Thiophenecarboxylic acid, copper complex
  • (2-Thiophenecarboxylato-κO2,κS1)copper
  • Cuprous 2-thiophenecarboxylate
  • (2-Thiophenecarboxylato)copper
  • Copper(1+) thiophene-2-carboxylate
  • Copper thiophene-2-carboxylate
  • CuTC
  • Copper 2-thienylcarboxylate
  • Copper 2-thiophenecarboxylate
  • (2-Thiophenecarboxylato-κO2,κS1)copper (CuTC)

Work with Copper(I) thiophene-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thiophene-2-carboxylic acid527-72-0Free acid

Similar compounds

2-Thienyl ketone704-38-152 % similar 2,2'-Thenil7333-07-552 % similar Thiophene-2-carboxylic anhydride25569-97-552 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-647 % similar 1-(2-Thienyl)-1-propanone13679-75-947 % similar Methyl thenoate5380-42-747 % similar 2-Thiophenecarbonyl chloride5271-67-047 % similar 2-Thiophenecarboxamide5813-89-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia