chempirical

2,2'-Thenoin

C10H8O2S2CAS 27761-02-0224.29 g/mol

Open in Covalent MOL file
SOSOH
AlcoholKetone

Properties

Molecular formula
C10H8O2S2
Molar mass
224.29 g/mol
Exact mass
223.9966 Da
logP
2.73Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
27761-02-0
SMILES
C1=CSC(=C1)C(C(=O)C2=CC=CS2)O
InChIKey
OGWZIOZTPNLTCR-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

Weigh it out

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

Names and synonyms

1 names
  • 2-Hydroxy-1,2-di(thiophen-2-yl)ethan-1-one

Work with 2,2'-Thenoin

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

Cyclopropyl-2-thienylmethanone6193-47-154 % similar Thiophene-2-carboxylic acid527-72-046 % similar 2-Thienyl ketone704-38-145 % similar 2,2'-Thenil7333-07-545 % similar α-Amino-2-thiopheneacetic acid21124-40-343 % similar L-α-(2-Thienyl)glycine43189-45-343 % similar 2,2-Dimethyl-1-(thiophen-2-yl)propan-1-one20409-48-742 % similar 2-Thiopheneglyoxylic acid4075-59-642 % similar

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

Same formula

3-Benzenesulfonylthiophene16718-05-1 2-Benzenesulfonylthiophene22407-40-5

Elsewhere

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