5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazole-2-thiol
5-(1,3-benzodioxol-5-yl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazole-2-thiol|5-(1,3-benzodioxol-5-yl)-3H-1,3,4-oxadiazole-2-thione|5-(1,3-dioxaindan-5-yl)-1,3,4-oxadiazole-2-thiol|J1.909.606H|5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thiol|5-(Benzo[d][1,3]dioxol-5-yl)-1,3,4-oxadiazole-2-thiol|5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazol-2-thiol|5-(1,3-Benzodioxole-5-yl)-1,3,4-oxadiazole-2-thiol|5-Benzo[1,3]-dioxol-5-yl-[1,3,4]oxadiazole-2-thiol|2-mercapto-5-(3,4-methylenedioxyphenyl)-1,3,4-oxadiazole|1,3,4-Oxadiazole-2(3H)-thione,5-(1,3-benzodioxol-5-yl)-|2-methylsulfonyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole|5-(2H-1,3-Benzodioxol-5-yl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C9H6N2O3S |
|---|---|
| Molecular Weight | 222.00992 g/mol |
| LogP | 2.12789 |
| Topological Polar Surface Area | 60.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00992 |
| Monoisotopic Mass | 222.00992 |
| Heavy Atoms | 15 |
| Complexity | 560.4802 |
Chemical Identifiers
| CAS Number | 63698-75-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)O3 |
Product Overview
5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazole-2-thiol (CAS 63698-75-9), with molecular formula C9H6N2O3S and molecular weight 222.00992 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3H-1,3,4-oxadiazole-2-thione.