| CAS Number | 1803570-47-9 |
| Catalog Number | AG01BDYG |
| Chemical Name | 2-hydroxy-N-[(phenylcarbamothioyl)amino]acetamide |
| IUPAC Name | 1-[(2-hydroxyacetyl)amino]-3-phenylthiourea |
| InChI | InChI=1S/C9H11N3O2S/c13-6-8(14)11-12-9(15)10-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,14)(H2,10,12,15) |
| InChI Key | WXNBTTKSFRZHAR-UHFFFAOYSA-N |
| MDL Number | MFCD28063732 |
| Molecular Formula | C9H11N3O2S |
| Molecular Weight | 225.2675 |
| SMILES | OCC(NNC(NC1=CC=CC=C1)=S)=O |
| Synonyms | 2-hydroxy-N-[(phenylcarbamothioyl)amino]acetamide,
1803570-47-9,
ZINC98095492,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.266g/mol |
| Monoisotopic Mass | 225.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number