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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 Mass:
76.15 g/mol
Names and Synonyms:
Carbon Disulfide
Carbon disulfide
Carbon bisulfide
Carbon bisulphide
Carbon disulphide
Dithiocarbonic anhydride
Carbon sulfide (CS2)
Identifiers:
SMILES:
S=C=S
InChI:
InChI=1S/CS2/c2-1-3
Key Properties
Boiling Point
46 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-111.5 °C
CAS Common Chemistry
Density
1.26 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.15 g/mol | CAS Common Chemistry |
| 76.14500000000001 g/mol | RDKit | |
| 75.944142 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2632 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbon_disulfide | CAS Common Chemistry |
| Boiling Point | 46 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | S=C=S | CAS Common Chemistry |
| InChI | InChI=1S/CS2/c2-1-3 | CAS Common Chemistry |
| InChI Key | InChIKey=QGJOPFRUJISHPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -111.5 °C | CAS Common Chemistry |
| Name | Carbon disulfide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.0181 | RDKit |
| Molar Refractivity | 20.189 | RDKit |
