Chemical Name - 4,5-dimethyl-1,3-dithiol-2-one
Mol Weight - 146.234
Smiles - CC(S1)=C(C)SC1=O
Mol Weight - 146.234
Smiles - CC(S1)=C(C)SC1=O
| Property Value | |
| Mol Name | 4,5-dimethyl-1,3-dithiol-2-one |
| Molweight | 146.234 |
| Monoisotopic Mass | 145.986005 |
| Clogp | 2.783 |
| Clogs | -2.774 |
| H Acceptors | 1 |
| Total Surface Area | 100.17 |
| Relative Psa | 0.47939 |
| Polar Surface Area | 67.67 |
| Druglikeness | -2.278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 3 |
| Smiles | CC(S1)=C(C)SC1=O |
| InChIKey | InChI=1S/C5H6OS2/c1-3-4(2)8-5(6)7-3/h1-2H3 |
| InChI | VMXYRSCGWFWNLN-UHFFFAOYSA-N |
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1 - 4,5-dimethyl-1,3-dithiol-2-one
2 - 4,5-dimethyl-1,3-dithiol-2-one
1 - 4,5-dimethyl-1,3-dithiol-2-one
2 - 4,5-dimethyl-1,3-dithiol-2-one
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