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Molecule
2-(2-Thiazolylazo)-P-Cresol
CAS: 1823-44-5 · C10H9N3OS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1823-44-5
- Molecular Formula
- C10H9N3OS
- Molecular Mass
- 219.27 g/mol
Identifiers
CAS Registry Number
1823-44-5
SMILES
Cc1ccc(O)c(N=Nc2nccs2)c1
InChI Key
MZRKINSTWYZJLV-UHFFFAOYSA-N
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
Names and Synonyms
- 2-(2-Thiazolylazo)-P-Cresol Synonym
- Phenol, 4-methyl-2-[2-(2-thiazolyl)diazenyl]- Synonym
- p-Cresol, 2-(2-thiazolylazo)- Synonym
- Phenol, 4-methyl-2-(2-thiazolylazo)- Synonym
- 4-Methyl-2-[2-(2-thiazolyl)diazenyl]phenol Synonym
- 2-(2-Thiazolylazo)-4-methylphenol Synonym
- 2-(2-Thiazolylazo)-p-cresol Synonym
- o-(2-Thiazolylazo)-4-methylphenol Synonym
- 4-Me-TAP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.27 g/mol | CAS Common Chemistry |
| 219.26900000000003 g/mol | RDKit | |
| 219.269 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 |
| 57.31 Ų | chempirical lib | |
| LogP | 3.572520000000001 | RDKit |
| 3.5725 | RDKit | |
| Molar Refractivity | 59.13380000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 219.046632908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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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.
External Resources
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MW = 219.27 g/mol. Edit any field — others recompute live.
