CJ3
Summary
| Name: | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide |
| Formula: | C8 H8 B N3 O S |
| Formal charge: | 0 |
| Formula weight: | 205.045 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide |
| OpenEye OEToolkits | 1.9.2 | 1-oxidanyl-2,3,1-benzodiazaborinine-2-carbothioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | B2(O)c1ccccc1C=NN2C(=S)N |
| InChI | InChI | 1.03 | InChI=1S/C8H8BN3OS/c10-8(14)12-9(13)7-4-2-1-3-6(7)5-11-12/h1-5,13H,(H2,10,14) |
| InChIKey | InChI | 1.03 | TVUCBNKINJLIPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)N1N=Cc2ccccc2B1O |
| SMILES | CACTVS | 3.385 | NC(=S)N1N=Cc2ccccc2B1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | B1(c2ccccc2C=NN1C(=S)N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | B1(c2ccccc2C=NN1C(=S)N)O |
