chempirical

3-Methoxythiophene

C5H6OSCAS 17573-92-1114.16 g/mol

Open in Covalent MOL file
OS
Ether

Properties

Molecular formula
C5H6OS
Molar mass
114.16 g/mol
Exact mass
114.0139 Da
Melting point
49–50 °C
Boiling point
80–82 °C (at 65 Torr)
logP
1.76Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
17573-92-1
SMILES
COc1ccsc1
InChIKey
RFSKGCVUDQRZSD-UHFFFAOYSA-N
InChI
InChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Thiophene, 3-methoxy-
  • Methyl 3-thienyl ether
  • 3-Methoxythiofuran

Work with 3-Methoxythiophene

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

1,4-Dimethoxybenzene150-78-748 % similar Anisole100-66-342 % similar 1,3,5-Trimethoxybenzene621-23-841 % similar 1,3-Dimethoxybenzene151-10-040 % similar 4-Methylanisole104-93-838 % similar 2,6-Dimethoxynaphthalene5486-55-538 % similar 4-Methoxypyridine620-08-638 % similar Bis(4-methoxybenzyl)amine17061-62-038 % similar

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

Same formula

2-Methoxythiophene16839-97-7 2-Methyl-3-furanthiol28588-74-1 2-Thiophenemethanol636-72-6 3-Thiophenemethanol71637-34-8 Furan-2-ylmethanethiol98-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook