| CAS Number | 1491969-77-7 |
| Catalog Number | AG01C59W |
| Chemical Name | tert-butyl 4-(carbamothioylmethyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-amino-2-sulfanylideneethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O2S/c1-12(2,3)16-11(15)14-6-4-9(5-7-14)8-10(13)17/h9H,4-8H2,1-3H3,(H2,13,17) |
| InChI Key | ZGHZNPHBBGJELE-UHFFFAOYSA-N |
| MDL Number | MFCD29051124 |
| Molecular Formula | C12H22N2O2S |
| Molecular Weight | 258.3803 |
| SMILES | CC(OC(N1CCC(CC(N)=S)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-(carbamothioylmethyl)piperidine-1-carboxylate,
1491969-77-7,
AKOS025142366,
ZINC170623623,
NS-03970,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.38g/mol |
| Monoisotopic Mass | 258.14g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number