chempirical

2-Methyl-3-(propyldithio)furan

C8H12OS2CAS 61197-09-9188.30 g/mol

Open in Covalent MOL file
SSO
Disulfide

Properties

Molecular formula
C8H12OS2
Molar mass
188.30 g/mol
Exact mass
188.0330 Da
logP
3.74Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
61197-09-9
SMILES
CCCSSc1ccoc1C
InChIKey
YFPPCUTVJGGSQC-UHFFFAOYSA-N
InChI
InChI=1S/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Furan, 2-methyl-3-(propyldithio)-
  • Propyl 2-methyl-3-furyl disulfide
  • 2-Methyl-3-(propyldisulfanyl)furan

Work with 2-Methyl-3-(propyldithio)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) disulfide28588-75-262 % similar 3,3′-Tetrathiobis[2-methylfuran]28588-76-358 % similar 2-Methyl-3-(methyldithio)furan65505-17-155 % similar 2-Methyl-3-(methylthio)furan63012-97-548 % similar 3-(Acetylthio)-2-methylfuran55764-25-541 % similar Dipropyl disulfide629-19-634 % similar Methyl propyl disulfide2179-60-434 % similar 2-Methyl-3-furanthiol28588-74-134 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook