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Dipropyl Disulfide
CAS: 629-19-6 | C6H14S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
629-19-6
Molecular Formula:
C6H14S2
Molecular Weight:
150.31199999999998 g/mol
Names and Synonyms:
Dipropyl Disulfide
Disulfide, dipropyl
Propyl disulfide
Dipropyl disulfide
4,5-Dithiaoctane
Di-n-propyl disulfide
n-Propyl disulfide
NSC 75122
1-(Propyldisulfanyl)propane
Identifiers:
SMILES:
CCCSSCCC
InChI:
InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 150.31 g/mol | Legacy Database |
| density | 0.95 g/cm³ | Legacy Database | |
| cas-boiling-point | 193.5 °C | Legacy Database | |
| cas-canonical-smile | S(SCCC)CCC | Legacy Database | |
| cas-density | 0.9525 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=ALVPFGSHPUPROW-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -85.6 °C | Legacy Database | |
| cas-name | Dipropyl disulfide | Legacy Database | |
| LogP | 3.187800000000002 | RDKit | |
| Molecular | Molecular Weight | 150.31199999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.053692448 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 5 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 45.498000000000026 | RDKit |
