| CAS Number | 29313-28-8 |
| Catalog Number | AG01BGHS(AGN-PC-0NJP9Q) |
| Chemical Name | N-(carbamothioylamino)-2-phenylacetamide |
| IUPAC Name | [(2-phenylacetyl)amino]thiourea |
| InChI | InChI=1S/C9H11N3OS/c10-9(14)12-11-8(13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H3,10,12,14) |
| InChI Key | PQUIEQGHWHTBSM-UHFFFAOYSA-N |
| MDL Number | MFCD00758507 |
| Molecular Formula | C9H11N3OS |
| Molecular Weight | 209.2681 |
| SMILES | NC(NNC(CC1=CC=CC=C1)=O)=S |
| Synonyms | 29313-28-8,
N-(carbamothioylamino)-2-phenylacetamide,
2-(2-Phenylacetyl)hydrazinecarbothioamide,
1-phenylacetyl-thiosemicarbazide,
SCHEMBL3729853,
PQUIEQGHWHTBSM-UHFFFAOYSA-N,
AHT100692,
ZINC34776394,
AKOS000295765,
2-(Phenylacetyl)hydrazinecarbothioamide,
Y6160,
C9H11N3OS,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.267g/mol |
| Monoisotopic Mass | 209.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number