| CAS Number | 845643-62-1 |
| Catalog Number | AG019X2N(AGN-PC-0USCAU) |
| Chemical Name | tert-butyl N-(1-carbamothioylcyclopentyl)carbamate |
| IUPAC Name | tert-butyl N-(1-carbamothioylcyclopentyl)carbamate |
| InChI | InChI=1S/C11H20N2O2S/c1-10(2,3)15-9(14)13-11(8(12)16)6-4-5-7-11/h4-7H2,1-3H3,(H2,12,16)(H,13,14) |
| InChI Key | KZCTWESWQKGOJO-UHFFFAOYSA-N |
| MDL Number | MFCD16665267 |
| Molecular Formula | C11H20N2O2S |
| Molecular Weight | 244.3537 |
| SMILES | CC(OC(NC1(C(N)=S)CCCC1)=O)(C)C |
| Synonyms | tert-butyl N-(1-carbamothioylcyclopentyl)carbamate,
845643-62-1,
AC1Q1N93,
ZINC48698419,
AKOS010593451,
MCULE-8299677893,
NE16041,
EN300-53889,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.353g/mol |
| Monoisotopic Mass | 244.125g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number