Back to Search
2-Propylthiazole
CAS: 17626-75-4 | C6H9NS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17626-75-4
Molecular Formula:
C6H9NS
Molecular Mass:
127.21 g/mol
Names and Synonyms:
2-Propylthiazole
Thiazole, 2-propyl-
2-Propylthiazole
2-n-Propylthiazole
2-Propyl-1,3-thiazole
Identifiers:
SMILES:
CCCc1nccs1
InChI:
InChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3
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 | 127.21 g/mol | CAS Common Chemistry |
| 127.21199999999999 g/mol | RDKit | |
| 127.045570288 g/mol | RDKit | |
| Canonical SMILES | N=1C=CSC1CCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CMOIEFFAOUQJPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Propylthiazole | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 2.0956 | RDKit |
| Molar Refractivity | 36.109 | RDKit |
