chempirical

Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate

C11H10O3S2CAS 26447-85-8254.32 g/mol

Open in Covalent MOL file
OOOHSS
AlcoholEster

Properties

Molecular formula
C11H10O3S2
Molar mass
254.32 g/mol
Exact mass
254.0071 Da
logP
2.22Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
26447-85-8
SMILES
COC(=O)C(O)(c1cccs1)c1cccs1
InChIKey
SYHWYWHVEQQDMO-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, methyl ester
  • Glycolic acid, di-2-thienyl-, methyl ester
  • Methyl di-2-thienylglycolate
  • Di-2-thienylglycolic acid methyl ester
  • Dithienylglycolic acid methyl ester
  • Hydroxydithien-2-ylacetic acid methyl ester
  • Methyl hydroxy(di-2-thienyl)acetate
  • Methyl 2,2-di(2-thienyl)glycolate

Work with Methyl α-hydroxy-α-2-thienyl-2-thiopheneacetate

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

Similar compounds

Methyl benzilate76-89-157 % similar Flurenol-methyl ester1216-44-054 % similar (1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate136310-64-052 % similar Tiotropium bromide136310-93-549 % similar Methyl 2-thiophenecarboxylate5380-42-744 % similar Chlorflurenol methyl2536-31-443 % similar Methyl (2-thienyl)acetate19432-68-941 % similar Aclidinium bromide320345-99-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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