Systematic / IUPAC Name: Methyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidothioate
ID: Reference4360
Other Names: Carbamimidothioic acid, N'-{(E)-amino[(4-chlorophenyl)imino]methyl}, methyl ester
Formula: C9H11ClN4S
N-Amino(methylthio)methylidene-N'-(4-chlorophenyl)guanidine hydrochloride mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/24/2016 12:36:27 PM |
| InChI | InChI=1S/C9H11ClN4S/c1-15-9(12)14-8(11)13-7-4-2-6(10)3-5-7/h2-5H,1H3,(H4,11,12,13,14) |
| InChI Key | MJMIMNUXLBXEDI-UHFFFAOYSA-N |
| Canonical SMILES | CSC(=NC(=NC1=CC=C(C=C1)Cl)N)N |
| CAS | |
| Splash | |
| Other Names | Carbamimidothioic acid, N'-{(E)-amino[(4-chlorophenyl)imino]methyl}, methyl ester |