Mol Weight - 272.415
Smiles - [S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[Zn+2]
| Property Name | Property Value |
| Mol Name | Zinc Dibenzyldithiocarbamate |
| Molweight | 272.415 |
| Monoisotopic Mass | 272.056764 |
| Clogp | 3.6347 |
| Clogs | -4.176 |
| H Acceptors | 1 |
| Total Surface Area | 196.8 |
| Relative Psa | 0.16032 |
| Polar Surface Area | 35.33 |
| Druglikeness | 1.502 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61111 |
| Molecular Flexibility | 0.5737 |
| Molecular Complexity | 0.51585 |
| Fragments | 3 |
| Non H Atoms | 18 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 9 |
| Smiles | [S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[S-]C(N(Cc1ccccc1)Cc1ccccc1)=S.[Zn+2] |
| InChIKey | InChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2 |
| InChI | AUMBZPPBWALQRO-UHFFFAOYSA-L |
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1 — Zinc Dibenzyldithiocarbamate | 2 — Zinc Dibenzyldithiocarbamate