chempirical

2-Methoxythiophene

C5H6OSCAS 16839-97-7114.16 g/mol

Open in Covalent MOL file
OS
Ether

Properties

Molecular formula
C5H6OS
Molar mass
114.16 g/mol
Exact mass
114.0139 Da
Density
1.12 g/mL (at 25 °C)
Boiling point
74–75 °C (at 50 Torr)
logP
1.76Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
16839-97-7
SMILES
COc1cccs1
InChIKey
OKEHURCMYKPVFW-UHFFFAOYSA-N
InChI
InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Thiophene, 2-methoxy-

Work with 2-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

2-(4-Methoxyphenyl)thiophene42545-43-747 % similar 2-Methylthiophene554-14-340 % similar 2,2'-Bithiophene492-97-739 % similar Methyl 2-thiophenecarboxylate5380-42-738 % similar 1,2-Dimethoxybenzene91-16-738 % similar Anisole100-66-336 % similar 2-Ethylthiophene872-55-936 % similar Methyl (2-thienyl)acetate19432-68-935 % similar

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

Same formula

3-Methoxythiophene17573-92-1 2-Methyl-3-furanthiol28588-74-1 2-Thiophenemethanol636-72-6 3-Thiophenemethanol71637-34-8 Furan-2-ylmethanethiol98-02-2

Elsewhere

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