chempirical

5,5′-(2,5-Furandiyl)bis[2-thiophenemethanol]

C14H12O3S2CAS 213261-59-7292.37 g/mol

Open in Covalent MOL file
HOHOSOS
Alcohol

Properties

Molecular formula
C14H12O3S2
Molar mass
292.37 g/mol
Exact mass
292.0228 Da
logP
3.72Crippen estimate
Polar surface area
53.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
213261-59-7
SMILES
OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1
InChIKey
KZENBFUSKMWCJF-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3S2/c15-7-9-1-5-13(18-9)11-3-4-12(17-11)14-6-2-10(8-16)19-14/h1-6,15-16H,7-8H2

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Names and synonyms

5 names
  • 2-Thiophenemethanol, 5,5′-(2,5-furandiyl)bis-
  • NSC 652287
  • RITA
  • [Furan-2,5-diylbis(thiene-5,2-diyl)]dimethanol
  • [5-[5-[5-(Hydroxymethyl)thiophen-2-yl]furan-2-yl]thiophen-2-yl]methanol

Work with 5,5′-(2,5-Furandiyl)bis[2-thiophenemethanol]

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

5-Bromo-2-thiophenemethanol79387-71-645 % similar 2,5-Bis(hydroxymethyl)furan1883-75-634 % similar 2-Thiophenemethanol636-72-634 % similar Benzo[B]thiophene-2-methanol17890-56-133 % similar

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

Elsewhere

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