2-Trimethylsilyl-1,3-dithiane
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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H412 Harmful to aquatic life with long lasting effects100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13411-42-2SMILES
C[Si](C)(C)C1SCCCS1InChIKey
BTTUMVHWIAXYPJ-UHFFFAOYSA-NInChI
InChI=1S/C7H16S2Si/c1-10(2,3)7-8-5-4-6-9-7/h7H,4-6H2,1-3H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.96 (s, 1H), 2.67 (t, J = 7.0 Hz, 4H), 2.27 (quint, J = 7.0 Hz, 2H), 0.00 (s, 9H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 33.3, 28.9, 28.3, 0.0.[M + H]+
[M + H]+ Calcd for C7H17S2Si 193.0535[M + Na]+
[M + Na]+ Calcd for C7H16NaS2Si 215.0355[M − H]−
[M − H]− Calcd for C7H15S2Si 191.0390Elemental analysis
Anal. Calcd for C7H16S2Si: C, 43.70; H, 8.38; S, 33.32.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 2-(Trimethylsilyl)-1,3-dithiane
- 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
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.