Phenoxathiine-3-carbaldehyde | SBID = 432 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C13H8O2S | ||
| M / g/mol: | 228.27 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: Phenoxathiine-3-carbaldehyde
- Preferred Abbreviation: Phenoxathiine-3-carbaldehyde
- IUPAC Name:
- CAS:
- CID: -80
- InChiKey: ZGWZFOFXNBTXDK-UHFFFAOYSA-N
- InChi: InChI=1S/C13H8O2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-8H
- CanoSmiles: O=CC1=CC2=C(C=C1)SC3=CC=CC=C3O2
- IsoSmiles: O=CC1=CC2=C(SC3=C(O2)C=CC=C3)C=C1
