| CAS Number | 173300-83-9 |
| Catalog Number | AG01ACP9(AGN-PC-0QAAGW) |
| Chemical Name | 1,3-DI-Tert-butyl 2-sulfanylideneimidazolidine-1,3-dicarboxylate |
| IUPAC Name | ditert-butyl 2-sulfanylideneimidazolidine-1,3-dicarboxylate |
| InChI | InChI=1S/C13H22N2O4S/c1-12(2,3)18-10(16)14-7-8-15(9(14)20)11(17)19-13(4,5)6/h7-8H2,1-6H3 |
| InChI Key | XKAUHHTXJNCNME-UHFFFAOYSA-N |
| MDL Number | MFCD24465577 |
| Molecular Formula | C13H22N2O4S |
| Molecular Weight | 302.3898 |
| SMILES | S=C1N(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | 1,3-DI-TERT-BUTYL 2-SULFANYLIDENEIMIDAZOLIDINE-1,3-DICARBOXYLATE,
173300-83-9,
SCHEMBL3243997,
XKAUHHTXJNCNME-UHFFFAOYSA-N,
2-Thioxo-imidazolidine-1,3-dicarboxylic acid di-tert-butyl ester,
tert-butyl 3-(tert-butoxycarbonyl)-2-thioxoimidazolidinecarboxylate,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.389g/mol |
| Monoisotopic Mass | 302.13g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number