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2-Hydrazino-4-Methylbenzothiazole
CAS: 20174-68-9 | C8H9N3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20174-68-9
Molecular Formula:
C8H9N3S
Molecular Mass:
179.25 g/mol
Names and Synonyms:
2-Hydrazino-4-Methylbenzothiazole
Benzothiazole, 2-hydrazinyl-4-methyl-
Benzothiazole, 2-hydrazino-4-methyl-
2(3H)-Benzothiazolone, 4-methyl-, hydrazone
2-Hydrazinyl-4-methylbenzothiazole
2-Hydrazino-4-methylbenzothiazole
2-Hydrazino-4-methyl-1,3-benzothiazole
4-Methyl-2-hydrazinobenzothiazole
4-Methyl-2-benzothiazolyl hydrazine
(4-Methyl-1,3-benzothiazol-2-yl)hydrazine
(4-Methyl-benzothiazol-2-yl)-hydrazine
2-Hydrazinyl-4-methyl-1,3-benzothiazole
Identifiers:
SMILES:
Cc1cccc2sc(NN)nc12
InChI:
InChI=1S/C8H9N3S/c1-5-3-2-4-6-7(5)10-8(11-9)12-6/h2-4H,9H2,1H3,(H,10,11)
Key Properties
Melting Point
167-169 °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 | 179.25 g/mol | CAS Common Chemistry |
| 179.24800000000002 g/mol | RDKit | |
| 179.051718288 g/mol | RDKit | |
| Canonical SMILES | N(N)=C1SC2=CC=CC(=C2N1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N3S/c1-5-3-2-4-6-7(5)10-8(11-9)12-6/h2-4H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=DYWNRVWOUASMDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167-169 °C | CAS Common Chemistry |
| Name | 2-Hydrazino-4-methylbenzothiazole | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 1.8903199999999998 | RDKit |
| Molar Refractivity | 52.167100000000005 | RDKit |
