chempirical

2-[(Methylthio)methyl]furan

C6H8OSCAS 1438-91-1128.19 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
62–63 °C (at 28 Torr)
logP
2.14Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1438-91-1
SMILES
CSCc1ccco1
InChIKey
SKSFHXVDHVKIBN-UHFFFAOYSA-N
InChI
InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Furan, 2-[(methylthio)methyl]-
  • Methyl furfuryl sulfide
  • 2-(Methylthiomethyl)furan
  • 2-Furfuryl methyl sulfide
  • 2-(Methylsulfanylmethyl)furan
  • 2-[(Methylsulfanyl)methyl]furan

Work with 2-[(Methylthio)methyl]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

Furfuryl methyl disulfide57500-00-264 % similar Difurfuryl sulfide13678-67-664 % similar Difurfuryl disulfide4437-20-164 % similar 2-[[(1-Methylethyl)thio]methyl]furan1883-78-957 % similar 2-Ethylfuran3208-16-052 % similar S-(2-Furanylmethyl) methanethioate59020-90-552 % similar Furfurylthiol acetate13678-68-752 % similar S-(2-Furanylmethyl) propanethioate59020-85-849 % 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-Thiopheneethanol5402-55-1 2,5-Dimethyl-3-furanthiol55764-23-3 2-Methyl-3-(methylthio)furan63012-97-5

Elsewhere

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