TDB
Summary
| Name: | 6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL |
| Synonyms: | Diazaborine |
| Formula: | C9 H13 B N2 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 272.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol |
| OpenEye OEToolkits | 1.5.0 | 1-hydroxy-6-methyl-2-propylsulfonyl-thieno[3,2-d][1,2,3]diazaborinine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC[S](=O)(=O)N1N=Cc2sc(C)cc2B1O |
| SMILES | CACTVS | 3.341 | CCC[S](=O)(=O)N1N=Cc2sc(C)cc2B1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | TVXLILKNSPCVRB-UHFFFAOYSA-N |
