+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 16R | ||
---|---|---|---|
Name | Name: (Wikipedia | Wikipedia - Thioanisole: Thioanisole is an organic compound with the formula CH3SC6H5. It is a colorless liquid that is soluble in organic solvents... | |
-Chemical information
Composition | Formula: C7H8S / Number of atoms: 16 / Formula weight: 124.203 / Formal charge: 0 | ||||||||
---|---|---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 16R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4HM8 | ||||||||
History |
| ||||||||
External links | UniChem / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | |
---|