Back to Search
Molecule
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
Identifiers
CAS Registry Number
75-15-0
SMILES
S=C=S
InChI Key
QGJOPFRUJISHPQ-UHFFFAOYSA-N
InChI
InChI=1S/CS2/c2-1-3
Names and Synonyms
- Carbon Disulfide Common Name
- Carbon disulfide Synonym
- Carbon bisulfide Synonym
- Carbon bisulphide Synonym
- Carbon disulphide Synonym
- Dithiocarbonic anhydride Synonym
- Carbon sulfide (CS2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.15 g/mol | CAS Common Chemistry |
| 76.14500000000001 g/mol | RDKit | |
| 76.145 g/mol | RDKit | |
| 76.131 g/mol | chempirical lib | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2632 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbon_disulfide | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 75.944142 g/mol | RDKit |
| Boiling Point | 46 °C @ 760 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 = 76.15 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
