J3T
Summary
| Name: | [4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate |
| Formula: | C10 H11 B N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 266.081 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11BN2O4S/c12-10(13)18-5-6-1-3-7(4-2-6)11-16-8(14)9(15)17-11/h1-4,8,14H,5H2,(H3,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | OMOMPYVBIXPZLY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)SCc1ccc(cc1)B2O[C@H](O)C(=O)O2 |
| SMILES | CACTVS | 3.385 | NC(=N)SCc1ccc(cc1)B2O[CH](O)C(=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\SCc1ccc(cc1)B2O[C@@H](C(=O)O2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B1(OC(C(=O)O1)O)c2ccc(cc2)CSC(=N)N |
