| CAS Number | 1955520-94-1 |
| Catalog Number | AG01C4GW |
| Chemical Name | tert-butyl 4-carbamothioyloxane-4-carboxylate |
| IUPAC Name | tert-butyl 4-carbamothioyloxane-4-carboxylate |
| InChI | InChI=1S/C11H19NO3S/c1-10(2,3)15-9(13)11(8(12)16)4-6-14-7-5-11/h4-7H2,1-3H3,(H2,12,16) |
| InChI Key | KUIZSMPBFGATOX-UHFFFAOYSA-N |
| MDL Number | MFCD30180373 |
| Molecular Formula | C11H19NO3S |
| Molecular Weight | 245.3385 |
| SMILES | CC(OC(C1(C(N)=S)CCOCC1)=O)(C)C |
| Synonyms | tert-butyl 4-carbamothioyloxane-4-carboxylate,
1955520-94-1,
ZINC400165771,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.337g/mol |
| Monoisotopic Mass | 245.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number