chempirical

2-Methyl-3-furanthiol

C5H6OSCAS 28588-74-1114.16 g/mol

Open in Covalent MOL file
OHS
Thiol

Properties

Molecular formula
C5H6OS
Molar mass
114.16 g/mol
Exact mass
114.0139 Da
logP
1.88Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
28588-74-1
SMILES
Cc1occc1S
InChIKey
RUYNUXHHUVUINQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 3-Furanthiol, 2-methyl-
  • 2-Methyl-3-mercaptofuran
  • 2-Methyl-3-furylthiol
  • Oxycyclothione 030
  • 3-Mercapto-2-methylfuran

Work with 2-Methyl-3-furanthiol

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

Bis(2-methyl-3-furyl) disulfide28588-75-246 % similar 3,3′-Tetrathiobis[2-methylfuran]28588-76-343 % similar 2-Methyl-3-(methylthio)furan63012-97-543 % similar 2-Methyl-3-(methyldithio)furan65505-17-140 % similar 2,5-Dimethyl-3-furanthiol55764-23-339 % similar Maltol118-71-839 % similar 2-Methyl-3-furancarboxylic acid6947-94-038 % similar 3-(Acetylthio)-2-methylfuran55764-25-535 % similar

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

Same formula

2-Methoxythiophene16839-97-7 3-Methoxythiophene17573-92-1 2-Thiophenemethanol636-72-6 3-Thiophenemethanol71637-34-8 Furan-2-ylmethanethiol98-02-2

Elsewhere

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