Back to Search
Molecule
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
Identifiers
CAS Registry Number
463-58-1
SMILES
O=C=S
InChI Key
JJWKPURADFRFRB-UHFFFAOYSA-N
InChI
InChI=1S/COS/c2-1-3
Names and Synonyms
- Carbonyl Sulfide Common Name
- Carbon oxide sulfide (COS) Synonym
- Carbonyl sulfide Synonym
- Carbon oxysulfide Synonym
- Carbonyl sulfide (COS) Synonym
- Carbon oxysulfide (COS) Synonym
- Oxycarbon sulfide (COS) Synonym
- Carbon monoxide monosulfide Synonym
- Carbon oxide sulfide Synonym
- Thiocarbonyl oxide Synonym
- OCS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 60.08 g/mol | CAS Common Chemistry |
| 60.077 g/mol | RDKit | |
| 60.07 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.028 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbonyl_sulfide | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 59.96698562 g/mol | RDKit |
| Boiling Point | -50 °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 = 60.08 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
