| CAS Number | 124555-03-9 |
| Catalog Number | AG01DK2F |
| Chemical Name | 1,3-diethyl 2-({[4-(methoxycarbonyl)thiophen-3-yl]amino}methylidene)propanedioate |
| IUPAC Name | diethyl 2-[[(4-methoxycarbonylthiophen-3-yl)amino]methylidene]propanedioate |
| InChI | InChI=1S/C14H17NO6S/c1-4-20-13(17)9(14(18)21-5-2)6-15-11-8-22-7-10(11)12(16)19-3/h6-8,15H,4-5H2,1-3H3 |
| InChI Key | ZNNPEPWNUVLDEM-UHFFFAOYSA-N |
| MDL Number | MFCD00830185 |
| Molecular Formula | C14H17NO6S |
| Molecular Weight | 327.3529 |
| SMILES | CCOC(=O)C(=CNc1cscc1C(=O)OC)C(=O)OCC |
| Synonyms | Diethyl 2-(((4-(methoxycarbonyl)thiophen-3-yl)amino)methylene)malonate,
124555-03-9,
MFCD00830185,
ZINC498050914,
CS-0039557,
|
| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.351g/mol |
| Monoisotopic Mass | 327.078g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number