Compound C13H7N3O4S2
2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole
| Molecular Formula | C13H7N3O4S2 |
|---|---|
| Molecular Weight | 333.3 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 158.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.9878 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 17586-89-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RCPUUVXIUIWMEE-UHFFFAOYSA-N |
📖 Product Overview
Compound C13H7N3O4S2 (CAS: 17586-89-9) is a chemical compound with molecular formula C13H7N3O4S2 and molecular weight 333.3 g/mol. Its IUPAC systematic name is 2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole.
RCPUUVXIUIWMEE-UHFFFAOYSA-N.
SMILES: C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].
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