NSJ
Summary
| Name: | 3-[(thiomorpholin-4-yl)methyl]phenol |
| Formula: | C11 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 209.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(thiomorpholin-4-yl)methyl]phenol |
| OpenEye OEToolkits | 2.0.6 | 3-(thiomorpholin-4-ylmethyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCSCC1)Cc2cccc(c2)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2 |
| InChIKey | InChI | 1.03 | NSDQSEGFFDPDRA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CN2CCSCC2)c1 |
| SMILES | CACTVS | 3.385 | Oc1cccc(CN2CCSCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)CN2CCSCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)CN2CCSCC2 |
