RefChem:95471

N,N-diethylethanamine;3-[(2E)-2-[(2E)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonic acid

Also Known As: 3-Thiazolidinepropanesulfonic acid, 2-(2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)ethylidene)-, compd. with N,N-diethylethanamine (1:1)|3-Thiazolidinepropanesulfonic acid, 2-((3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)ethylidene)-, compd. with N,N-diethylethanamine (1:1)|3-Thiazolidinepropanesulfonic acid, 2-[(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)ethylidene]-, compd. with N,N-diethylethanamine (1:1)|3-Thiazolidinepropanesulfonic acid, 2-[2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)ethylidene]-, compd. with N,N-diethylethanamine (1:1)|N,N-diethylethanamine; 3-[(2E)-2-[(2E)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonic acid

Molecular Formula	C19H33N3O4S4
Molecular Weight	495.1354 g/mol
LogP	3.2667
Topological Polar Surface Area	81.16 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	495.1354
Monoisotopic Mass	495.1354
Heavy Atoms	30
Complexity	743.3687

Chemical Identifiers

CAS Number	64375-47-9
SMILES	CCN1C(=O)/C(=C\C=C\2/N(CCS2)CCCS(=O)(=O)O)/SC1=S.CCN(CC)CC