Thiabendazole | SBID = 907 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 8 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C10H7N3S | ||
| M / g/mol: | 201.24768 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: Thiabendazole
- Preferred Abbreviation: Thiabendazole
- IUPAC Name:
- CAS:
- CID: -300
- InChiKey: WJCNZQLZVWNLKY-UHFFFAOYSA-N
- InChi: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
- CanoSmiles: c1scc(n1)c1nc2c([nH]1)cccc2
- IsoSmiles: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
