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Molecule
Bis(Trimethylsilyl)Sulfide
CAS: 3385-94-2 · C6H18SSi2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3385-94-2
- Molecular Formula
- C6H18SSi2
- Molecular Mass
- 178.45 g/mol
Identifiers
CAS Registry Number
3385-94-2
SMILES
C[Si](C)(C)S[Si](C)(C)C
InChI Key
RLECCBFNWDXKPK-UHFFFAOYSA-N
InChI
InChI=1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
Names and Synonyms
- Bis(Trimethylsilyl)Sulfide Synonym
- Disilathiane, 1,1,1,3,3,3-hexamethyl- Synonym
- Disilthiane, hexamethyl- Synonym
- Disilathiane, hexamethyl- Synonym
- 1,1,1,3,3,3-Hexamethyldisilathiane Synonym
- Bis(trimethylsilyl) sulfide Synonym
- Hexamethyldisilthiane Synonym
- Hexamethyldisilathiane Synonym
- Hexamethyldisilyl sulfide Synonym
- Hexamethyldisilthian Synonym
- Bis(trimethylsilyl)sulfur Synonym
- Hexamethyldisilylthiane Synonym
- NSC 252160 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.45 g/mol | CAS Common Chemistry |
| 178.44899999999998 g/mol | RDKit | |
| 178.449 g/mol | RDKit | |
| 178.442 g/mol | chempirical lib | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.851 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(trimethylsilyl)sulfide | CAS Common Chemistry |
| Boiling Point | 162-164 °C | CAS Common Chemistry |
| Canonical SMILES | S([Si](C)(C)C)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RLECCBFNWDXKPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(trimethylsilyl) sulfide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.389400000000002 | RDKit |
| 3.3894 | RDKit | |
| 3.68 | chempirical lib | |
| Molar Refractivity | 54.28300000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 178.066774636 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 178.45 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
