chempirical

2-(Trimethylsilyl)-1,3-dithiane

C7H16S2SiCAS 13411-42-2192.41 g/mol

Open in Covalent MOL file
SiSS
Sulfide

Properties

Molecular formula
C7H16S2Si
Molar mass
192.41 g/mol
Exact mass
192.0463 Da
Density
1.01 g/mL
Boiling point
85 °C (at 1 Torr)
logP
3.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13411-42-2
SMILES
C[Si](C)(C)C1SCCCS1
InChIKey
BTTUMVHWIAXYPJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16S2Si/c1-10(2,3)7-8-5-4-6-9-7/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • 1,3-Dithiane, 2-(trimethylsilyl)-
  • Silane, m-dithian-2-yltrimethyl-
  • Silane, 1,3-dithian-2-yltrimethyl-
  • (1,3-Dithian-2-yl)trimethylsilane

Work with 2-(Trimethylsilyl)-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-Methyl-1,3-dithiane6007-26-741 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook