| CAS Number | 727694-70-4 |
| Catalog Number | AG019IJF |
| Chemical Name | 2-carbamothioyl-N-(2-methoxyphenyl)acetamide |
| IUPAC Name | 3-amino-N-(2-methoxyphenyl)-3-sulfanylidenepropanamide |
| InChI | InChI=1S/C10H12N2O2S/c1-14-8-5-3-2-4-7(8)12-10(13)6-9(11)15/h2-5H,6H2,1H3,(H2,11,15)(H,12,13) |
| InChI Key | KEINGNTXFINYPD-UHFFFAOYSA-N |
| MDL Number | MFCD04617229 |
| Molecular Formula | C10H12N2O2S |
| Molecular Weight | 224.2795 |
| SMILES | COC1=C(NC(CC(N)=S)=O)C=CC=C1 |
| Synonyms | 2-carbamothioyl-N-(2-methoxyphenyl)acetamide,
3-amino-N-(2-methoxyphenyl)-3-thioxopropanamide,
727694-70-4,
AC1MCJTH,
AC1Q45RD,
CTK7B1387,
TOS-BB-0199,
ZINC3886747,
AKOS000117103,
MCULE-7947534832,
NE25848,
EN300-06888,
N-(2-Methoxyphenyl)-3-amino-3-thioxopropanamide,
SR-01000046235,
SR-01000046235-1,
3-amino-N-(2-methoxyphenyl)-3-sulfanylidenepropanamide,
ZINC03886747,
CID2771346,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.278g/mol |
| Monoisotopic Mass | 224.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number