Tetrathiafulvalene | SBID = 621 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 101.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 133.1 | ||
| Sum Formula: | C6H4S4 | ||
| M / g/mol: | 204.4 | ||
| Complexity: | 182.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Tetrathiafulvalene
- Preferred Abbreviation: Tetrathiafulvalene
- IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole
- CAS: 31366-25-3
- CID: 99451
- InChiKey: FHCPAXDKURNIOZ-UHFFFAOYSA-N
- InChi: InChI=1S/C6H4S4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H
- CanoSmiles: C1=CSC(=C2SC=CS2)S1
- IsoSmiles: C1=CSC(=C2SC=CS2)S1
