| Formula | S5 |
| MW | 160.3 |
| InChIKey | FBNHIFPJXGPDIP-VQJKRHGPNA-L |
| Entry_Date | 2023-09-01 |
| Net_Charge | -2 |
| Number_Atoms | 7 |
| Number_Heavy_Atoms | 5 |
| Number_Rings | 0 |
| Number_Bonds | 6 |
| Rotat_Bonds | 4 |
| Unbranched_Chain | 5 |
| Chiral_Centers | 0 |
| ONatoms | 0 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 0 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 0 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | 3.29 |
| logP | 2.7056 |
| PSA | 153.5 |
| MR | 40.745 |
| ABS | 0.85 |
| Solubility | moderately |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -19.43365 |
| PM7_Total_Energy_ev | -886.02847 |
| PM7_Electronic_Energy_ev | -2412.11479 |
| PM7_Dipole_Debye | 1.25461 |
| PM7_Point_Group | C2 |
| PM7_HOMO_Energy_ev | -0.327 |
| PM7_LUMO_Energy_ev | 6.174 |
| PM7_COSMO_Area_square_ang | 160.68 |
| PM7_COSMO_Volue_cubic_ang | 158.5 |
| PM7_Electron_Affinity_ev | -6.174 |
| PM7_Ionization_Energy_ev | 0.327 |
| PM7_Energy_Gap_ev | 6.501 |
| PM7_Global_Hardness_ev | 3.2505 |
| PM7_Global_Softness_ev | 0.3076449776957391 |
| PM7_Chemical_Potential_ev | 2.9235 |
| PM7_Electronigativity_ev | -2.9235 |
| PM7_Back_Donation_Energy_ev | -0.812625 |
| PM7_Electrophilicity_ev | 1.3146980849100138 |
| OPENEYE_Name | BLAH |
| SMILES | [S-]SSS[S-] |
| Canonical_SMILES | SSSSS |
| InChI | 1/H2S5/c1-3-5-4-2/h1-2H/p-2/fS5/h1-2h/q-2 |
| InChI_3D | 1S/H2S5/c1-3-5-4-2/h1-2H |
| AuxInfo | 1/1/N:1,2,3,4,5/E:(1,2)(3,4)/F:m/E:m/rA:5nS-S-SSS/rB:;s1;s2;s3s4;/rC:;3,1.7321,0;1,0,0;2.5,.866,0;1.5,.866,0; |
| Duplicates | DB02956 |
| mol2_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000002750-0000002999/DB02956.mol2 |
| pdbqt_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000002750-0000002999/DB02956.pdbqt |
| sdf_Path | /CCDB/DrugBank/Database/Compound-0000000000-0000049999/Compound-0000002750-0000002999/DB02956.sdf |