Methyl {[(3-chloroanilino)carbothioyl]amino}methanimidothioate
7134
Reference
Methyl {[(3-chloroanilino)carbothioyl]amino}methanimidothioate Structure
Systematic / IUPAC Name: Methyl N'-[(3-chlorophenyl)carbamothioyl]carbamimidothioate
ID: Reference7134
Other Names: Carbamimidothioic acid, N'-{[(3-chlorophenyl)amino]thioxomethyl}-, methyl ester
Formula: C9H10ClN3S2
Spectral Data
Methyl {[(3-chloroanilino)carbothioyl]amino}methanimidothioate 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 | 1 |
| No. of Spectra | 93 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/6/2017 8:40:00 AM |
Identificators
| InChI | InChI=1S/C9H10ClN3S2/c1-15-8(11)13-9(14)12-7-4-2-3-6(10)5-7/h2-5H,1H3,(H3,11,12,13,14) |
| InChI Key | WOTIXQFPFXSKLN-UHFFFAOYSA-N |
| Canonical SMILES | CSC(=NC(=S)NC1=CC(=CC=C1)Cl)N |
| CAS | |
| Splash | |
| Other Names | Carbamimidothioic acid, N'-{[(3-chlorophenyl)amino]thioxomethyl}-, methyl ester |
In Other Databases
| PubChem | 2730433; 6110902; 6364887 |
| ChEMBL | CHEMBL1595375 |
| ChemSpider | 2012358 |