| CAS Number | 1038973-12-4 |
| Catalog Number | AG01BFLM |
| Chemical Name | 2-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| IUPAC Name | 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide |
| InChI | InChI=1S/C13H18N2O3S/c1-17-10-4-3-9(7-11(10)18-2)5-6-15-13(16)8-12(14)19/h3-4,7H,5-6,8H2,1-2H3,(H2,14,19)(H,15,16) |
| InChI Key | LCXRKNSMBVVMON-UHFFFAOYSA-N |
| MDL Number | MFCD12559497 |
| Molecular Formula | C13H18N2O3S |
| Molecular Weight | 282.3586 |
| SMILES | COC1=C(OC)C=C(CCNC(CC(N)=S)=O)C=C1 |
| Synonyms | 2-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide,
1038973-12-4,
ZINC20433090,
AKOS009252443,
NE23735,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.358g/mol |
| Monoisotopic Mass | 282.104g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number