S-[(2E)-2-anilino-2-(benzenesulfonylimino)ethyl] carbamothioate
Formula:C15H15N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
S-[(2E)-2-anilino-2-(benzenesulfonylimino)ethyl] carbamothioate is a drug-like molecule.
| MolName | S-[(2E)-2-anilino-2-(benzenesulfonylimino)ethyl] carbamothioate |
| MolecularFormula | C15H15N3O3S2 |
| Smiles | NC(SC/C(/Nc1ccccc1)=N\S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C15H15N3O3S2/c16-15(19)22-11-14(17-12-7-3-1-4-8-12)18-23(20,21)13-9-5-2-6-10-13/h1-10H,11H2,(H2,16,19)(H,17,18) |
| InChIK | CQHSIADWOWIOFV-UHFFFAOYSA-N |
| TotalMolweight | 349.434 |
| Molweight | 349.434 |
| MonoisotopicMass | 349.055482 |
| CLogP | 1.9995 |
| CLogS | -3.641 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 253.55 |
| Relative PSA | 0.38395 |
| PolarSurfaceArea | 135.3 |
| Druglikeness | -8.0389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - S-[(2E)-2-anilino-2-(benzenesulfonylimino)ethyl] carbamothioate | 2 - S-[(2E)-2-anilino-2-(benzenesulfonylimino)ethyl] carbamothioate
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