STH
Summary
| Name: | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL |
| Formula: | C8 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 183.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4H-1,3-benzoxathiin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O2c1ccccc1C(O)SC2N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1Oc2ccccc2[C@H](O)S1 |
| SMILES | CACTVS | 3.341 | N[CH]1Oc2ccccc2[CH](O)S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(S[C@H](O2)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(SC(O2)N)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | DVFUKUONLVBBEH-SFYZADRCSA-N |
