Back to Search
Molecule
Dipentyl Disulfide
CAS: 112-51-6 · C10H22S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-51-6
- Molecular Formula
- C10H22S2
- Molecular Mass
- 206.42 g/mol
Identifiers
CAS Registry Number
112-51-6
SMILES
CCCCCSSCCCCC
InChI Key
YSQZSPCQDXHJDJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3
Names and Synonyms
- Dipentyl Disulfide Common Name
- Disulfide, dipentyl Synonym
- Pentyl disulfide Synonym
- Dipentyl disulfide Synonym
- Diamyl disulfide Synonym
- Bis(1-pentyl) disulfide Synonym
- 6,7-Dithiadodecane Synonym
- n-Amyl disulfide Synonym
- n-Pentanedisulfide Synonym
- Di-n-amyl disulfide Synonym
- Di-n-pentyl disulfide Synonym
- 1-(Pentyldisulfanyl)pentane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.42 g/mol | CAS Common Chemistry |
| 206.41999999999996 g/mol | RDKit | |
| 206.406 g/mol | chempirical lib | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9221 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 119 °C | CAS Common Chemistry |
| Canonical SMILES | S(SCCCCC)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YSQZSPCQDXHJDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-130 °C | CAS Common Chemistry |
| Name | Dipentyl disulfide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.748200000000004 | RDKit |
| 4.7482 | RDKit | |
| Molar Refractivity | 63.96600000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 206.116292704 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
Convert
Quick conversion
MW = 206.42 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22S2.
