Compound C12H6Cl6N4O3S
2-(2-methoxy-4-nitrophenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
| Molecular Formula | C12H6Cl6N4O3S |
|---|---|
| Molecular Weight | 499.0 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 119.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.82623 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 24478-16-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | JYOXRTLKHPBYQL-UHFFFAOYSA-N |
📖 Product Overview
Compound C12H6Cl6N4O3S (CAS: 24478-16-8) is a chemical compound with molecular formula C12H6Cl6N4O3S and molecular weight 499.0 g/mol. Its IUPAC systematic name is 2-(2-methoxy-4-nitrophenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine.
JYOXRTLKHPBYQL-UHFFFAOYSA-N.
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
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