| CAS Number | 885524-38-9 |
| Catalog Number | AG019OG4 |
| Chemical Name | N-(2-{5-[(1,3-dioxaindan-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethyl)-2-chloroacetamide |
| IUPAC Name | N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide |
| InChI | InChI=1S/C15H13ClN2O4S2/c16-7-13(19)17-3-4-18-14(20)12(24-15(18)23)6-9-1-2-10-11(5-9)22-8-21-10/h1-2,5-6H,3-4,7-8H2,(H,17,19) |
| InChI Key | ANVRVZKVHALZLN-UHFFFAOYSA-N |
| MDL Number | MFCD07366320 |
| Molecular Formula | C15H13ClN2O4S2 |
| Molecular Weight | 384.8577 |
| SMILES | ClCC(NCCN1C(=S)SC(=CC2=CC3=C(OCO3)C=C2)C1=O)=O |
| Synonyms | 885524-38-9,
N-{2-[5-(2H-1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl}-2-chloroacetamide,
AC1NLR0V,
CTK6H5945,
CTK8G1461,
AKOS030736163,
MCULE-5901913764,
UPCMLD0ENAT5587830:001,
N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide,
ZINC04207121,
CID4962705,
N-{2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethyl}-2-chloroacetamide,
|
| Complexity | 572 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.849g/mol |
| Monoisotopic Mass | 384.001g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number