Thionin | SBID = 190 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 89.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | |||
| Sum Formula: | C12H10ClN3S | ||
| M / g/mol: | 263.743 | ||
| Complexity: | 388.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: Thionin
- Preferred Abbreviation: Thionin
- IUPAC Name: (7-aminophenothiazin-3-ylidene)azanium;chloride
- CAS: 581-64-6
- CID: 65043
- InChiKey: PVPBBTJXIKFICP-UHFFFAOYSA-N
- InChi: InChI=1S/C12H9N3S.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6,13H,14H2;1H
- CanoSmiles: C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2.[Cl-]
- IsoSmiles: C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2.[Cl-]
