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2-(2-Thiazolylazo)-P-Cresol
CAS: 1823-44-5 | C10H9N3OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1823-44-5
Molecular Formula:
C10H9N3OS
Molecular Mass:
219.27 g/mol
Names and Synonyms:
2-(2-Thiazolylazo)-P-Cresol
Phenol, 4-methyl-2-[2-(2-thiazolyl)diazenyl]-
p-Cresol, 2-(2-thiazolylazo)-
Phenol, 4-methyl-2-(2-thiazolylazo)-
4-Methyl-2-[2-(2-thiazolyl)diazenyl]phenol
2-(2-Thiazolylazo)-4-methylphenol
2-(2-Thiazolylazo)-p-cresol
o-(2-Thiazolylazo)-4-methylphenol
4-Me-TAP
Identifiers:
SMILES:
Cc1ccc(O)c(N=Nc2nccs2)c1
InChI:
InChI=1S/C10H9N3OS/c1-7-2-3-9(14)8(6-7)12-13-10-11-4-5-15-10/h2-6,14H,1H3
Key Properties
Melting Point
128.5-131.0 °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 | 219.27 g/mol | CAS Common Chemistry |
| 219.26900000000003 g/mol | RDKit | |
| 219.046632908 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1N=NC2=NC=CS2)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H9N3OS/c1-7-2-3-9(14)8(6-7)12-13-10-11-4-5-15-10/h2-6,14H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MZRKINSTWYZJLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128.5-131.0 °C | CAS Common Chemistry |
| Name | 2-(2-Thiazolylazo)-p-cresol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.84 Ų | RDKit |
| LogP | 3.572520000000001 | RDKit |
| Molar Refractivity | 59.13380000000003 | RDKit |
