RefChem:95464
N,N-diethylethanamine;2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: EINECS 269-463-6|3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1)|Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate|N,N-diethylethanamine; 2-[(5Z)-5-(3-ethylbenzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-thiazolidin-3-yl]acetic acid
| Molecular Formula | C20H27N3O3S3 |
|---|---|
| Molecular Weight | 453.12146 g/mol |
| LogP | 4.08 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.12146 |
| Heavy Atoms | 29 |
| Complexity | 803.7 |
Chemical Identifiers
| CAS Number | 68239-70-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC(=O)O.CCN(CC)CC |
Product Overview
RefChem:95464 (CAS 68239-70-3), with molecular formula C20H27N3O3S3 and molecular weight 453.12146 g/mol. IUPAC: N,N-diethylethanamine;2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
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