RefChem:365462
N,N-diethylethanamine;4-[2-[4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid
Also Known As: Naphtho[2,3-d]thiazole-3(2H)-propanesulfonic acid, 2-[4-(1-heptyl-5-oxo-3-phenyl-2-thioxo-4-imidazolidinylidene)-2-buten-1-ylidene]-.alpha.-methyl-, compd. with N,N-diethylethanamine (1:1)|4-{2-[4-(1-Heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-en-1-ylidene]naphtho[2,3-d][1,3]thiazol-3(2H)-yl}butane-2-sulfonic acid--N,N-diethylethanamine (1/1)|N,N-diethylethanamine;4-[2-[4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid|Naphtho(2,3-d)thiazole-3(2H)-propanesulfonic acid, 2-(4-(1-heptyl-5-oxo-3-phenyl-2-thioxo-4-imidazolidinylidene)-2-buten-1-ylidene)-alpha-methyl-, compd. with N,N-diethylethanamine (1:1)|Naphtho[2,3-d]thiazole-3(2H)-propanesulfonic acid, 2-[4-(1-heptyl-3-phenyl-5-oxo-2-thioxo-4-imidazolidinylidene)-2-butenylidene]-.alpha.-methyl-, compd. with N,N-diethylethanamine (1:1)|Naphtho[2,3-d]thiazole-3(2H)-propanesulfonic acid, 2-[4-(1-heptyl-5-oxo-3-phenyl-2-thioxo-4-imidazolidinylidene)-2-buten-1-ylidene]-alpha-methyl-, compd. with N,N-diethylethanamine (1:1)
| Molecular Formula | C41H54N4O4S3 |
|---|---|
| Molecular Weight | 762.33075 g/mol |
| LogP | 9.652 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 762.33075 |
| Monoisotopic Mass | 762.33075 |
| Heavy Atoms | 52 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 63148-73-2 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C(=CC=CC=C2N(C3=CC4=CC=CC=C4C=C3S2)CCC(C)S(=O)(=O)O)N(C1=S)C5=CC=CC=C5.CCN(CC)CC |
| InChIKey | DHYVYSMYDYOFJO-UHFFFAOYSA-N |
Product Overview
RefChem:365462 (CAS 63148-73-2), with molecular formula C41H54N4O4S3 and molecular weight 762.33075 g/mol. IUPAC: N,N-diethylethanamine;4-[2-[4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid.