5-(sulfanylmethyl)thiolan-2-one
Formula:C5H8OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(sulfanylmethyl)thiolan-2-one is a drug-like molecule.
| MolName | 5-(sulfanylmethyl)thiolan-2-one |
| MolecularFormula | C5H8OS2 |
| Smiles | O=C1SC(CS)CC1 |
| InChI | InChI=1S/C5H8OS2/c6-5-2-1-4(3-7)8-5/h4,7H,1-3H2/t4-/m1/s1 |
| InChIK | XKJPGATWBDTZMY-SCSAIBSYSA-N |
| TotalMolweight | 148.25 |
| Molweight | 148.25 |
| MonoisotopicMass | 148.001655 |
| CLogP | 0.8989 |
| CLogS | -1.68 |
| H Acceptors | 1 |
| TotalSurfaceArea | 104.88 |
| Relative PSA | 0.50667 |
| PolarSurfaceArea | 81.17 |
| Druglikeness | -4.2987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| StereoCon | racemate |
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