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Thiazolidine
CAS: 504-78-9 | C3H7NS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
504-78-9
Molecular Formula:
C3H7NS
Molecular Weight:
89.163 g/mol
Names and Synonyms:
Thiazolidine
Synonym
Thiazolidine
Synonym
Thiazole, tetrahydro-
Synonym
1-Thia-3-azacyclopentane
Synonym
Tetrahydrothiazole
Synonym
1,3-Thiazolidine
Synonym
Identifiers:
SMILES:
C1CSCN1
InChI:
InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
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 |
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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 | 89.16 g/mol | Legacy Database |
| density | 1.13 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Thiazolidine None | Legacy Database |
| cas-boiling-point | 164-165 °C None | Legacy Database |
| cas-canonical-smile | S1CNCC1 None | Legacy Database |
| cas-density | 1.131 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OGYGFUAIIOPWQD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Thiazolidine None | Legacy Database |
| wikipedia-name | Thiazolidine None | Legacy Database |
| LogP | 0.28030000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.163 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.029920224 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 12.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.327699999999997 | RDKit |