HQT
Summary
| Name: | 2-hydroxyisoquinoline-1(2H)-thione |
| Formula: | C9 H7 N O S |
| Formal charge: | 0 |
| Formula weight: | 177.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxyisoquinoline-1(2H)-thione |
| OpenEye OEToolkits | 1.7.6 | 2-oxidanylisoquinoline-1-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1c2ccccc2C=CN1O |
| InChI | InChI | 1.03 | InChI=1S/C9H7NOS/c11-10-6-5-7-3-1-2-4-8(7)9(10)12/h1-6,11H |
| InChIKey | InChI | 1.03 | RTPXYUZLLYULJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C=Cc2ccccc2C1=S |
| SMILES | CACTVS | 3.385 | ON1C=Cc2ccccc2C1=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C=CN(C2=S)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C=CN(C2=S)O |
