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Molecule
4-Methyl-5-(2-Hydroxyethyl)Thiazole
CAS: 137-00-8 · C6H9NOS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 137-00-8
- Molecular Formula
- C6H9NOS
- Molecular Mass
- 143.21 g/mol
Identifiers
CAS Registry Number
137-00-8
SMILES
Cc1ncsc1CCO
InChI Key
BKAWJIRCKVUVED-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
Names and Synonyms
- 4-Methyl-5-(2-Hydroxyethyl)Thiazole Systematic Name
- 5-Thiazoleethanol, 4-methyl- Synonym
- 4-Methyl-5-thiazoleethanol Synonym
- 5-(2-Hydroxyethyl)-4-methylthiazole Synonym
- 4-Methyl-5-(β-hydroxyethyl)thiazole Synonym
- 4-Methyl-5-(2-hydroxyethyl)thiazole Synonym
- MHT Synonym
- 5-(Hydroxyethyl)-4-methylthiazole Synonym
- 2-(4-Methylthiazole-5-yl)ethanol Synonym
- 5-(β-Hydroxyethyl)-4-methylthiazole Synonym
- Sulfurol Synonym
- 2-(4-Methyl-5-thiazolyl)ethanol Synonym
- 4-Methyl-5-thiazolylethanol Synonym
- 2-(4-Methyl-1,3-thiazol-5-yl)ethanol Synonym
- NSC 23262 Synonym
- NSC 41831 Synonym
- Hemineurine Synonym
- 4-Methyl-5-(2-thiazoleethanol) Synonym
- 2-(4-Methyl-1,3-thiazol-5-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.21 g/mol | CAS Common Chemistry |
| 143.211 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.196 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Boiling Point | 135 °C | CAS Common Chemistry |
| Canonical SMILES | OCCC=1SC=NC1C | CAS Common Chemistry |
| InChI | InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BKAWJIRCKVUVED-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 4-Methyl-5-(2-hydroxyethyl)thiazole | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 0.9863200000000001 | RDKit |
| 0.9863 | RDKit | |
| 1.0 | chempirical lib | |
| Molar Refractivity | 37.640800000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 143.040484908 g/mol | RDKit |
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.
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MW = 143.21 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
