Back to Search
Cymiazole
CAS: 61676-87-7 | C12H14N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61676-87-7
Molecular Formula:
C12H14N2S
Molecular Mass:
218.33 g/mol
Names and Synonyms:
Cymiazole
Benzenamine, 2,4-dimethyl-N-(3-methyl-2(3H)-thiazolylidene)-
2,4-Dimethyl-N-(3-methyl-2(3H)-thiazolylidene)benzenamine
CGA 50439
Tifatol
Xymiazole
Besuntol
2-(2′,4′-Dimethylphenylimino)-3-methylthiazoline
Cymiazole
2,4-Dimethyl-N-(3-methylthiazol-2(3H)-ylidene)aniline
Identifiers:
SMILES:
Cc1ccc(N=c2sccn2C)c(C)c1
InChI:
InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3
Key Properties
Melting Point
44 °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 | 218.33 g/mol | CAS Common Chemistry |
| 218.32500000000002 g/mol | RDKit | |
| 218.087769448 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cymiazole | CAS Common Chemistry |
| Canonical SMILES | N(C1=CC=C(C=C1C)C)=C2SC=CN2C | CAS Common Chemistry |
| InChI | InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YUAUPYJCVKNAEC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 44 °C | CAS Common Chemistry |
| Name | Cymiazole | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.29 Ų | RDKit |
| LogP | 2.9358400000000016 | RDKit |
| Molar Refractivity | 64.42900000000003 | RDKit |
