chempirical

2-Methyltetrahydrofuran-3-thiol

C5H10OSCAS 57124-87-5118.19 g/mol

Open in Covalent MOL file
OHS
EtherThiol

Properties

Molecular formula
C5H10OS
Molar mass
118.19 g/mol
Exact mass
118.0452 Da
logP
1.09Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
57124-87-5
SMILES
CC1OCCC1S
InChIKey
DBPHPBLAKVZXOY-UHFFFAOYSA-N
InChI
InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Pentitol, 1,4-anhydro-2,5-dideoxy-3-thio-
  • 3-Furanthiol, tetrahydro-2-methyl-
  • 1,4-Anhydro-2,5-dideoxy-3-thiopentitol
  • 2-Methyl-3-mercaptotetrahydrofuran
  • 2-Methyloxolane-3-thiol

Work with 2-Methyltetrahydrofuran-3-thiol

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

4-Methyl-1,3-dioxane1120-97-432 % similar

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

Same formula

Methylthiomethyl ethyl ketone13678-58-5 3-(Methylthio)butanal16630-52-7 S-Propyl thioacetate2307-10-0 S-Ethyl propanethioate2432-42-0 S-Methyl butanethioate2432-51-1 4-(Methylthio)-2-butanone34047-39-7 2,2-Dimethylpropanethioic acid55561-02-9 3-Mercapto-2-pentanone67633-97-0

Elsewhere

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