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4-Methyl-5-(2-Hydroxyethyl)Thiazole
CAS: 137-00-8 | C6H9NOS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
137-00-8
Molecular Formula:
C6H9NOS
Molecular Weight:
143.211 g/mol
Names and Synonyms:
4-Methyl-5-(2-Hydroxyethyl)Thiazole
MHT
2-(4-Methyl-1,3-thiazol-5-yl)ethan-1-ol
4-Methyl-5-(2-thiazoleethanol)
Hemineurine
NSC 41831
NSC 23262
2-(4-Methyl-1,3-thiazol-5-yl)ethanol
4-Methyl-5-thiazolylethanol
2-(4-Methyl-5-thiazolyl)ethanol
Sulfurol
5-(β-Hydroxyethyl)-4-methylthiazole
2-(4-Methylthiazole-5-yl)ethanol
5-(Hydroxyethyl)-4-methylthiazole
4-Methyl-5-(2-hydroxyethyl)thiazole
4-Methyl-5-(β-hydroxyethyl)thiazole
5-(2-Hydroxyethyl)-4-methylthiazole
4-Methyl-5-thiazoleethanol
5-Thiazoleethanol, 4-methyl-
Identifiers:
SMILES:
Cc1ncsc1CCO
InChI:
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.211 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.040484908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9863200000000001 | RDKit |
| molecular_mass | 143.21 g/mol | Legacy Database |
| density | 1.20 g/cm³ | Legacy Database |
| cas-boiling-point | 135 °C None | Legacy Database |
| cas-canonical-smile | OCCC=1SC=NC1C None | Legacy Database |
| cas-density | 1.196 g/cm3 @ Temp: 24 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | 4-Methyl-5-(2-hydroxyethyl)thiazole None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.640800000000006 | RDKit |
