Back to Search
Molecule
Dipropyl Trisulfide
CAS: 6028-61-1 · C6H14S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6028-61-1
- Molecular Formula
- C6H14S3
- Molecular Mass
- 182.38 g/mol
Identifiers
CAS Registry Number
6028-61-1
SMILES
CCCSSSCCC
InChI Key
GAZXPZNJTZIGBO-UHFFFAOYSA-N
InChI
InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
Names and Synonyms
- Dipropyl Trisulfide Synonym
- Trisulfide, dipropyl Synonym
- Propyl trisulfide Synonym
- Dipropyl trisulfide Synonym
- Di-n-propyl trisulfide Synonym
- 1,3-Dipropyltrisulfane Synonym
- 1-Propyltrithiopropane Synonym
- 1-(Propyltrisulfanyl)propane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.38 g/mol | CAS Common Chemistry |
| 182.37899999999996 g/mol | RDKit | |
| 182.379 g/mol | RDKit | |
| 182.358 g/mol | chempirical lib | |
| Canonical SMILES | S(SCCC)SCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GAZXPZNJTZIGBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dipropyl trisulfide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.836000000000003 | RDKit |
| 3.836 | RDKit | |
| Molar Refractivity | 53.089000000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 182.025763448 g/mol | RDKit |
| Boiling Point | 69-72 °C @ 1.6 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 182.38 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14S3.
