2-Methyl-3-(methylthio)furan
Properties
- Molecular formula
- C6H8OS
- Molar mass
- 128.19 g/mol
- Exact mass
- 128.0296 Da
- Boiling point
- 172 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 13.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor11% of notifiers
- H302 Harmful if swallowed94.5% of notifiers
Aggregated from 1,445 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
63012-97-5SMILES
CSc1ccoc1CInChIKey
OQVAOEIMSKZGAL-UHFFFAOYSA-NInChI
InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3Weigh 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
Boiling point under vacuumAt any pressure, from its normal boiling point
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
2,3-Dimethylfuran14920-89-946 % similar
2-Methyl-3-furanthiol28588-74-143 % similar
2-Methyl-3-furancarboxylic acid6947-94-039 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.