Thiane | SBID = 1267 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 25.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| 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: | 80.8 | ||
| Sum Formula: | C5H10S | ||
| M / g/mol: | 102.2 | ||
| Complexity: | 30.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: typical guest
- Name: Thiane
- Preferred Abbreviation: Thiane
- IUPAC Name: thiane
- CAS: 1613-51-0
- CID: 15367
- InChiKey: YPWFISCTZQNZAU-UHFFFAOYSA-N
- InChi: InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
- CanoSmiles: C1CCSCC1
- IsoSmiles: C1CCSCC1
