Back to Search
2-Thiazolidinone
CAS: 2682-49-7 | C3H5NOS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2682-49-7
Molecular Formula:
C3H5NOS
Molecular Mass:
103.15 g/mol
Names and Synonyms:
2-Thiazolidinone
2-Thiazolidinone
2-Oxothiazolidine
1,3-Thiazolidin-2-one
NSC 122613
Identifiers:
SMILES:
OC1=NCCS1
InChI:
InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
Key Properties
Boiling Point
160 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
54 °C
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 | 103.15 g/mol | CAS Common Chemistry |
| 103.14600000000002 g/mol | RDKit | |
| 103.00918478 g/mol | RDKit | |
| Boiling Point | 160 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1SCCN1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=SLYRGJDSFOCAAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54 °C | CAS Common Chemistry |
| Name | 2-Thiazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 0.6472 | RDKit |
| Molar Refractivity | 27.388799999999996 | RDKit |
