chempirical

2-[[(1-Methylethyl)thio]methyl]furan

C8H12OSCAS 1883-78-9156.24 g/mol

Open in Covalent MOL file
SO
Sulfide

Properties

Molecular formula
C8H12OS
Molar mass
156.24 g/mol
Exact mass
156.0609 Da
logP
2.92Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1883-78-9
SMILES
CC(C)SCc1ccco1
InChIKey
WCHRNAKORAINOJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3

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Names and synonyms

6 names
  • Furan, 2-[[(1-methylethyl)thio]methyl]-
  • Furan, 2-[(isopropylthio)methyl]-
  • Isopropyl furfuryl sulfide
  • 2-[(Propan-2-ylsulfanyl)methyl]furan
  • 2-((Isopropylthio)methyl)furan
  • 2-(Propan-2-ylsulfanylmethyl)furan

Work with 2-[[(1-Methylethyl)thio]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

Difurfuryl sulfide13678-67-657 % similar Difurfuryl disulfide4437-20-157 % similar 2-[(Methylthio)methyl]furan1438-91-157 % similar Furfuryl methyl disulfide57500-00-253 % similar Furfurylthiol acetate13678-68-747 % similar S-(2-Furanylmethyl) methanethioate59020-90-547 % similar 2-Ethylfuran3208-16-047 % similar S-(2-Furanylmethyl) propanethioate59020-85-845 % similar

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

Elsewhere

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