45J
Summary
| Name: | 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol |
| Formula: | C6 H6 B Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 200.454 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol |
| OpenEye OEToolkits | 1.9.2 | 4-chloranyl-2-methyl-1-oxidanyl-thieno[2,3-d][1,2,3]diazaborinine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC1=NN(B(O)c2sccc12)C |
| InChI | InChI | 1.03 | InChI=1S/C6H6BClN2OS/c1-10-7(11)5-4(2-3-12-5)6(8)9-10/h2-3,11H,1H3 |
| InChIKey | InChI | 1.03 | UKYMGRYWPUJEOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=C(Cl)c2ccsc2B1O |
| SMILES | CACTVS | 3.385 | CN1N=C(Cl)c2ccsc2B1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | B1(c2c(ccs2)C(=NN1C)Cl)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | B1(c2c(ccs2)C(=NN1C)Cl)O |
