4JM
Summary
| Name: | 4-(methylsulfanyl)aniline |
| Formula: | C7 H9 N S |
| Formal charge: | 0 |
| Formula weight: | 139.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(methylsulfanyl)aniline |
| OpenEye OEToolkits | 1.9.2 | 4-methylsulfanylaniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(SC)ccc(cc1)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 |
| InChIKey | InChI | 1.03 | YKFROQCFVXOUPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(N)cc1 |
| SMILES | CACTVS | 3.385 | CSc1ccc(N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CSc1ccc(cc1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CSc1ccc(cc1)N |
