AC1M2Jjg
[2-chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate
Also Known As: CCG-4822|2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate|[2-chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate|2-Chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate|2-CHLORO-6-METHOXY-4-{[(5Z)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENYL BENZENESULFONATE
| Molecular Formula | C17H12ClNO5S3 |
|---|---|
| Molecular Weight | 440.9566 g/mol |
| LogP | 3.6051 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.9566 |
| Monoisotopic Mass | 440.9566 |
| Heavy Atoms | 27 |
| Complexity | 1051.7386 |
Chemical Identifiers
| CAS Number | 6509-80-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)S2)Cl)OS(=O)(=O)C3=CC=CC=C3 |
Product Overview
AC1M2Jjg (CAS 6509-80-4), with molecular formula C17H12ClNO5S3 and molecular weight 440.9566 g/mol. IUPAC: [2-chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate.