3-Phenoxythiophene

C₁₀H₈OSCAS 63285-84-7176.23 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook