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

Hazards

Warning
Flammable (GHS02)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

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

3-Phenoxythiophene63285-84-748 % similar 1,4-Dimethoxybenzene150-78-748 % similar 3,3'-Bithiophene3172-56-345 % similar Anisole100-66-342 % similar 4,4'-Dimethoxybiphenyl2132-80-142 % similar 3,4-Dimethoxythiophene51792-34-842 % similar 1,3,5-Trimethoxybenzene621-23-841 % similar 1,3-Dimethoxybenzene151-10-040 % 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 Thiophene-3-methanol71637-34-8 Furan-2-ylmethanethiol98-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook