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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 Mass:
60.08 g/mol
Names and Synonyms:
Carbonyl Sulfide
Carbon oxide sulfide (COS)
Carbonyl sulfide
Carbon oxysulfide
Carbonyl sulfide (COS)
Carbon oxysulfide (COS)
Oxycarbon sulfide (COS)
Carbon monoxide monosulfide
Carbon oxide sulfide
Thiocarbonyl oxide
OCS
Identifiers:
SMILES:
O=C=S
InChI:
InChI=1S/COS/c2-1-3
Key Properties
Boiling Point
-50 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-138 °C
CAS Common Chemistry
Density
1.03 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 | 60.08 g/mol | CAS Common Chemistry |
| 60.077 g/mol | RDKit | |
| 59.96698562 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.028 g/cm3 @ Temp: 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbonyl_sulfide | CAS Common Chemistry |
| Boiling Point | -50 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C=S | CAS Common Chemistry |
| InChI | InChI=1S/COS/c2-1-3 | CAS Common Chemistry |
| InChI Key | InChIKey=JJWKPURADFRFRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -138 °C | CAS Common Chemistry |
| Name | Carbonyl sulfide | 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 | 17.07 Ų | RDKit |
| LogP | 0.2511 | RDKit |
| Molar Refractivity | 13.2845 | RDKit |
