4-Methylbenzyl carbamimidothioate
6811
Reference
4-Methylbenzyl carbamimidothioate Structure
Systematic / IUPAC Name: 4-Methylbenzyl carbamimidothioate
ID: Reference6811
Other Names:
Carbamimidothioic acid, (4-methylphenyl)methyl ester;
{[(4-Methylphenyl)methyl]sulfanyl}methanimidamide
Formula: C9H12N2S
Spectral Data
4-Methylbenzyl carbamimidothioate 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 | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/12/2017 9:30:18 AM |
Identificators
| InChI | InChI=1S/C9H12N2S/c1-7-2-4-8(5-3-7)6-12-9(10)11/h2-5H,6H2,1H3,(H3,10,11) |
| InChI Key | PWJIOPUMPZSBEI-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)CSC(=N)N |
| CAS | |
| Splash | |
| Other Names |
Carbamimidothioic acid, (4-methylphenyl)methyl ester; {[(4-Methylphenyl)methyl]sulfanyl}methanimidamide |
In Other Databases
| ChEMBL | CHEMBL1229100 |
| PubChem | 416231 |
| ChemSpider | 368492 |