4W1
Summary
| Name: | 1-benzothiophen-3-ylmethanol |
| Formula: | C9 H8 O S |
| Formal charge: | 0 |
| Formula weight: | 164.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-benzothiophen-3-ylmethanol |
| OpenEye OEToolkits | 1.9.2 | 1-benzothiophen-3-ylmethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c2c(ccc1)c(cs2)CO |
| InChI | InChI | 1.03 | InChI=1S/C9H8OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2 |
| InChIKey | InChI | 1.03 | UYGMKSKKGSUAHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1csc2ccccc12 |
| SMILES | CACTVS | 3.385 | OCc1csc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(cs2)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(cs2)CO |
