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Carbon Disulfide
CAS: 75-15-0 | CS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-15-0
Molecular Formula:
CS2
Molecular Weight:
76.14500000000001 g/mol
Names and Synonyms:
Carbon Disulfide
Common Name
Carbon sulfide (CS2)
Synonym
Dithiocarbonic anhydride
Synonym
Carbon disulphide
Synonym
Carbon bisulphide
Synonym
Carbon bisulfide
Synonym
Carbon disulfide
Synonym
Identifiers:
SMILES:
S=C=S
InChI:
InChI=1S/CS2/c2-1-3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 76.15 g/mol | Legacy Database |
| density | 1.26 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Carbon_disulfide None | Legacy Database |
| cas-boiling-point | 46 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | S=C=S None | Legacy Database |
| cas-density | 1.2632 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CS2/c2-1-3 None | Legacy Database |
| cas-inchi-key | InChIKey=QGJOPFRUJISHPQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -111.5 °C None | Legacy Database |
| cas-name | Carbon disulfide None | Legacy Database |
| wikipedia-name | Carbon disulfide None | Legacy Database |
| LogP | 1.0181 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 76.14500000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 75.944142 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.189 | RDKit |