3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-
2-[(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: EINECS 231-470-7|KST-1A8282|BAS 00669988|3-Carboxymethyl-5-(3-ethyl-2-benzothiazolylidene)rhodanine|5-(3-Ethyl-2-benzothiazolylidene)-3-(carboxymethyl)rhodanine|3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-|5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid|[5-(3-ethyl-1,3-benzothiazol-2(3h)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|5-(3-Ethyl-2-(3H)-benzothiazolylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid|5-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-4-OXO-2-THIOXO-3- THIAZOLIDINEACETIC ACID TRIETHYLAMINE SALT|[(5Z)-5-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid|2-[(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C14H12N2O3S3 |
|---|---|
| Molecular Weight | 352.001 g/mol |
| LogP | 2.7326 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.001 |
| Monoisotopic Mass | 352.001 |
| Heavy Atoms | 22 |
| Complexity | 717.03955 |
Chemical Identifiers
| CAS Number | 79692-41-4 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- (CAS 79692-41-4), with molecular formula C14H12N2O3S3 and molecular weight 352.001 g/mol. IUPAC: 2-[(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.