Thiophene | SBID = 1760 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 28.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 68.1 | ||
| Sum Formula: | C4H4S | ||
| M / g/mol: | 84.14 | ||
| Complexity: | 22.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Thiophene
- Preferred Abbreviation: Thiophene
- IUPAC Name: thiophene
- CAS: 110-02-1
- CID: 8030
- InChiKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N
- InChi: InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
- CanoSmiles: C1=CSC=C1
- IsoSmiles: C1=CSC=C1
