ZSJ
Summary
| Name: | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol |
| Formula: | C10 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 197.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-methylsulfanylphenyl)methylamino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSc1ccc(CNCCO)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H15NOS/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3 |
| InChIKey | InChI | 1.03 | MXNHNDNJEDGUBO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(CNCCO)cc1 |
| SMILES | CACTVS | 3.385 | CSc1ccc(CNCCO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1ccc(cc1)CNCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1ccc(cc1)CNCCO |
