chempirical

2-Methyl-1,3-dithiane

C5H10S2CAS 6007-26-7134.25 g/mol

Open in Covalent MOL file
SS
Sulfide

Properties

Molecular formula
C5H10S2
Molar mass
134.25 g/mol
Exact mass
134.0224 Da
Boiling point
66 °C (at 5 Torr)
logP
2.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
6007-26-7
SMILES
CC1SCCCS1
InChIKey
KXROTPXCYDXGSC-UHFFFAOYSA-N
InChI
InChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Dithiane, 2-methyl-
  • m-Dithiane, 2-methyl-
  • Acetaldehyde, cyclic trimethylene mercaptal
  • 2-Methyl-m-dithiane
  • 2-Methyl-1,3-dithian
  • NSC 249337

Work with 2-Methyl-1,3-dithiane

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-(Trimethylsilyl)-1,3-dithiane13411-42-241 % similar Ethyl 1,3-dithiane-2-carboxylate20462-00-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook