N-(4-Chloro-2,5-dimethoxyphenyl)thiourea
7131
Reference
N-(4-Chloro-2,5-dimethoxyphenyl)thiourea Structure
Systematic / IUPAC Name: 1-(4-Chloro-2,5-dimethoxyphenyl)thiourea
ID: Reference7131
Other Names: Thiourea, N-(4-chloro-2,5-dimethoxyphenyl)-
Formula: C9H11ClN2O2S
Spectral Data
N-(4-Chloro-2,5-dimethoxyphenyl)thiourea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 236 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/5/2017 12:24:41 PM |
Identificators
| InChI | InChI=1S/C9H11ClN2O2S/c1-13-7-4-6(12-9(11)15)8(14-2)3-5(7)10/h3-4H,1-2H3,(H3,11,12,15) |
| InChI Key | ISYJPUXGDXZTPR-UHFFFAOYSA-N |
| Canonical SMILES | COc1cc(c(cc1Cl)OC)NC(=S)N |
| CAS | |
| Splash | |
| Other Names | Thiourea, N-(4-chloro-2,5-dimethoxyphenyl)- |
In Other Databases
| PubChem | 2731180 |
| ChEMBL | CHEMBL1536440 |
| ChemSpider | 2013084 |