chempirical

3-Phenoxythiophene

C10H8OSCAS 63285-84-7176.23 g/mol

Open in Covalent MOL file
OS
Ether

Properties

Molecular formula
C10H8OS
Molar mass
176.23 g/mol
Exact mass
176.0296 Da
logP
3.54Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
63285-84-7
SMILES
C1=CC=C(C=C1)OC2=CSC=C2
InChIKey
DXSHUWUDKNEGFS-UHFFFAOYSA-N
InChI
InChI=1S/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H

Weigh it out

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

Work with 3-Phenoxythiophene

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

Diphenyl ether101-84-857 % similar 1,4-Diphenoxybenzene3061-36-755 % similar 3-Phenylthiophene2404-87-750 % similar Biphenyl-diphenyl ether mixture8004-13-550 % similar 3-Methoxythiophene17573-92-148 % similar 1,3-Diphenoxybenzene3379-38-248 % similar 4-Phenoxypyridine4783-86-244 % similar 4-Bromodiphenyl ether101-55-343 % similar

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

Same formula

3-Methylbenzo(b)thiophene-2-carboxaldehyde22053-74-3 2-Acetylbenzothiophene22720-75-8 3-Acetylbenzothiophene26168-40-1

Elsewhere

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