2-Methyl-5-(methylthio)furan

C6H8OSCAS 13678-59-6128.19 g/mol

Open in Covalent MOL file
SO
Sulfide

Properties

Molecular formula
C6H8OS
Molar mass
128.19 g/mol
Exact mass
128.0296 Da
Boiling point
80 °C (at NaN Torr)
logP
2.31Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 123 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
13678-59-6
SMILES
CSc1ccc(C)o1
InChIKey
RESBOJMQOGJOMW-UHFFFAOYSA-N
InChI
InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3

Weigh it out

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Names and synonyms

4 names
  • Furan, 2-methyl-5-(methylthio)-
  • Methyl 5-methylfuryl sulfide
  • 5-Methyl-2-(methylthio)furan
  • 2-Methyl-5-methylsulfanylfuran

Work with 2-Methyl-5-(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

2,5-Dimethylfuran625-86-552 % similar 5-Methyl-2-furanmethanamine14003-16-837 % similar 5-Methyl-2-furanmethanol3857-25-837 % similar 5-Methylfurfural620-02-037 % similar 5-Methyl-2-furanboronic Acid62306-79-037 % similar 2-Acetyl-5-methylfuran1193-79-934 % similar 5-Methylfuran-2-carbonyl chloride14003-11-333 % similar 5-Methyl-2-furoic acid1917-15-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Thiopheneethanol13781-67-4 2-[(Methylthio)methyl]furan1438-91-1 (1S)-1-(Thiophen-2-yl)ethan-1-ol27948-39-6 2-Thiopheneethanol5402-55-1 2,5-Dimethyl-3-furanthiol55764-23-3 2-Methyl-3-(methylthio)furan63012-97-5 (1R)-1-(2-Thienyl)ethanol86527-10-8

Elsewhere

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