4-methylbenzenesulfinamide | SBID = 2683 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 62.3 | ||
| Ertl TPSA/Å2: | 43.09 | ||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| Hydrophilicity (Cheng XLogP3): | 1.16 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 118.7 | ||
| Sum Formula: | C7H9NOS | ||
| M / g/mol: | 155.22 | ||
| Complexity: | 130.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags:
- Name: 4-methylbenzenesulfinamide
- Preferred Abbreviation: 4-Methylbenzenesulfinamide
- IUPAC Name: 4-methylbenzenesulfinamide
- CAS:
- CID: 587460
- InChiKey: YNJDSRPIGAUCEE-UHFFFAOYSA-N
- InChi: InChI=1S/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3
- CanoSmiles: CC1=CC=C(C=C1)S(=O)N
- IsoSmiles: CC1=CC=C(C=C1)S(=O)N
