2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethanesulfonic acid
Formula:C10H9NO4S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethanesulfonic acid is a drug-like molecule.
| MolName | 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethanesulfonic acid |
| MolecularFormula | C10H9NO4S4 |
| Smiles | OS(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)(=O)=O |
| InChI | InChI=1S/C10H9NO4S4/c12-9-8(6-7-2-1-4-17-7)18-10(16)11(9)3-5-19(13,14)15/h1-2,4,6H,3,5H2,(H,13,14,15) |
| InChIK | OWACYNFILNEKKP-UHFFFAOYSA-N |
| TotalMolweight | 335.448 |
| Molweight | 335.448 |
| MonoisotopicMass | 334.941439 |
| CLogP | -0.6303 |
| CLogS | -2.672 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.11 |
| Relative PSA | 0.56135 |
| PolarSurfaceArea | 168.69 |
| Druglikeness | -8.3944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethanesulfonic acid | 2 - 2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethanesulfonic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off