imino-methyl-oxo-phenyl-lambda6-sulfane | SBID = 2684 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 49.3 | ||
| Ertl TPSA/Å2: | 40.92 | ||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | 1.79 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 119.1 | ||
| Sum Formula: | C7H9NOS | ||
| M / g/mol: | 155.22 | ||
| Complexity: | 200.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: imino-methyl-oxo-phenyl-lambda6-sulfane
- Preferred Abbreviation: (Methylsulfonimidoyl)benzene
- IUPAC Name: imino-methyl-oxo-phenyl-lambda6-sulfane
- CAS:
- CID: 290021
- InChiKey: YFYIDTVGWCYSEO-UHFFFAOYSA-N
- InChi: InChI=1S/C7H9NOS/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8H,1H3
- CanoSmiles: CS(=N)(=O)C1=CC=CC=C1
- IsoSmiles: CS(=N)(=O)C1=CC=CC=C1
