chempirical

2-Methyl-3-(methylthio)furan

C6H8OSCAS 63012-97-5128.19 g/mol

Open in Covalent MOL file
SO
Sulfide

Properties

Molecular formula
C6H8OS
Molar mass
128.19 g/mol
Exact mass
128.0296 Da
logP
2.31Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
63012-97-5
SMILES
CSc1ccoc1C
InChIKey
OQVAOEIMSKZGAL-UHFFFAOYSA-N
InChI
InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Furan, 2-methyl-3-(methylthio)-
  • 2-Methyl-3-methylthiofuran
  • 2-Methyl-3-methylsulfanylfuran
  • 2-Methyl-3-(methylsulfanyl)furan

Work with 2-Methyl-3-(methylthio)furan

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) disulfide28588-75-267 % similar 2-Methyl-3-(methyldithio)furan65505-17-163 % similar 3,3′-Tetrathiobis[2-methylfuran]28588-76-362 % similar 3-(Acetylthio)-2-methylfuran55764-25-550 % similar 2-Methyl-3-(propyldithio)furan61197-09-948 % similar 2-Methyl-3-furanthiol28588-74-143 % similar 2-Methyl-3-furancarboxylic acid6947-94-039 % similar Maltol118-71-836 % similar

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

Same formula

2-Methyl-5-(methylthio)furan13678-59-6 3-Thiopheneethanol13781-67-4 2-[(Methylthio)methyl]furan1438-91-1 2-Thiopheneethanol5402-55-1 2,5-Dimethyl-3-furanthiol55764-23-3

Elsewhere

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