4NM
Summary
| Name: | 4-NITROPHENYL METHANETHIOL |
| Formula: | C7 H8 N O2 S |
| Formal charge: | 1 |
| Formula weight: | 170.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | hydroxy(oxo)[4-(sulfanylmethyl)phenyl]ammonium |
| OpenEye OEToolkits | 1.5.0 | hydroxy-oxo-[4-(sulfanylmethyl)phenyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=[N+](O)c1ccc(cc1)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | O[N+](=O)c1ccc(CS)cc1 |
| SMILES | CACTVS | 3.341 | O[N+](=O)c1ccc(CS)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CS)[N+](=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CS)[N+](=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4H,5H2,(H-,9,10,11)/p+1 |
| InChIKey | InChI | 1.03 | OTHKGVFNUSHUQO-UHFFFAOYSA-O |
