Dimethyl-(4-methylphenyl)sulfanium | SBID = 569 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 1.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 129.5 | ||
| Sum Formula: | C9H13S+ | ||
| M / g/mol: | 153.27 | ||
| Complexity: | 90.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Dimethyl-(4-methylphenyl)sulfanium
- Preferred Abbreviation: Dimethyl-(4-methylphenyl)sulfanium
- IUPAC Name: dimethyl-(4-methylphenyl)sulfanium
- CAS:
- CID: 498084
- InChiKey: HMWKYNUJIAKBTR-UHFFFAOYSA-N
- InChi: InChI=1S/C9H13S/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3/q+1
- CanoSmiles: CC1=CC=C(C=C1)[S+](C)C
- IsoSmiles: CC1=CC=C(C=C1)[S+](C)C
