2-({[3-(Methylthio)anilino][(phenylsulfonyl)imino]methyl}thio)acetic acid
3599
Reference
2-({[3-(Methylthio)anilino][(phenylsulfonyl)imino]methyl}thio)acetic acid Structure
Systematic / IUPAC Name: ({N-[3-(Methylsulfanyl)phenyl]-N-'-(phenylsulfonyl)carbamimidoyl}sulfanyl)acetic acid
ID: Reference3599
Other Names: Acetic acid, 2-[({[3-(methylthio)phenyl]amino}[(phenylsulfonyl)imino]methyl)thio]-
Formula: C16H16N2O4S3
Spectral Data
2-({[3-(Methylthio)anilino][(phenylsulfonyl)imino]methyl}thio)acetic acid 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 | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 393 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 1/14/2016 12:12:08 PM |
Identificators
| InChI | InChI=1S/C16H16N2O4S3/c1-23-13-7-5-6-12(10-13)17-16(24-11-15(19)20)18-25(21,22)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18)(H,19,20) |
| InChI Key | VFXQXZNMVRKYSH-UHFFFAOYSA-N |
| Canonical SMILES | CSC1=CC=CC(=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)SCC(=O)O |
| CAS | |
| Splash | |
| Other Names | Acetic acid, 2-[({[3-(methylthio)phenyl]amino}[(phenylsulfonyl)imino]methyl)thio]- |