MTN
Summary
| Name: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
| Synonyms: | MTSL |
| Formula: | C10 H18 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 264.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
| OpenEye OEToolkits | 1.7.2 | 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O] |
| SMILES | CACTVS | 3.370 | CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3 |
| InChIKey | InChI | 1.03 | MXZPGYFBZHBAQM-UHFFFAOYSA-N |
