Back to Search
Carbonyl Sulfide
CAS: 463-58-1 | COS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
463-58-1
Molecular Formula:
COS
Molecular Weight:
60.077 g/mol
Names and Synonyms:
Carbonyl Sulfide
Common Name
Carbonyl sulfide
Synonym
OCS
Synonym
Thiocarbonyl oxide
Synonym
Carbon oxide sulfide
Synonym
Carbon monoxide monosulfide
Synonym
Oxycarbon sulfide (COS)
Synonym
Carbon oxysulfide (COS)
Synonym
Carbonyl sulfide (COS)
Synonym
Carbon oxysulfide
Synonym
Carbon oxide sulfide (COS)
Synonym
Identifiers:
SMILES:
O=C=S
InChI:
InChI=1S/COS/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 | 60.08 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Carbonyl_sulfide None | Legacy Database |
| cas-boiling-point | -50 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C=S None | Legacy Database |
| cas-density | 1.028 g/cm3 @ Temp: 17 °C None | Legacy Database |
| cas-inchi | InChI=1S/COS/c2-1-3 None | Legacy Database |
| cas-inchi-key | InChIKey=JJWKPURADFRFRB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -138 °C None | Legacy Database |
| cas-name | Carbonyl sulfide None | Legacy Database |
| wikipedia-name | Carbonyl sulfide None | Legacy Database |
| LogP | 0.2511 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 60.077 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 59.96698562 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 | 17.07 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.2845 | RDKit |