| CAS Number | 294622-57-4 |
| Catalog Number | AG019UBA(AGN-PC-00B3KO) |
| Chemical Name | ethyl 4-(carbamothioylamino)piperidine-1-carboxylate |
| IUPAC Name | ethyl 4-(carbamothioylamino)piperidine-1-carboxylate |
| InChI | InChI=1S/C9H17N3O2S/c1-2-14-9(13)12-5-3-7(4-6-12)11-8(10)15/h7H,2-6H2,1H3,(H3,10,11,15) |
| InChI Key | BPCZINMJOTUUOC-UHFFFAOYSA-N |
| MDL Number | MFCD09932791 |
| Molecular Formula | C9H17N3O2S |
| Molecular Weight | 231.3152 |
| SMILES | CCOC(N1CCC(NC(N)=S)CC1)=O |
| Synonyms | Ethyl 4-(carbamothioylamino)piperidine-1-carboxylate,
294622-57-4,
ethyl 4-[(aminocarbonothioyl)amino]piperidine-1-carboxylate,
SCHEMBL6185775,
CTK6F9314,
BPCZINMJOTUUOC-UHFFFAOYSA-N,
AC1Q3576,
ZINC19436071,
AKOS000173883,
MCULE-9781155521,
NE26752,
ethyl 4-thioureidopiperidine-1-carboxylate,
EN300-41164,
CID11535967,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.314g/mol |
| Monoisotopic Mass | 231.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number