| CAS Number | 173300-85-1 |
| Catalog Number | AG01BKFM(AGN-PC-0QAAH4) |
| Chemical Name | 1,3-di-tert-butyl 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate |
| IUPAC Name | ditert-butyl 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate |
| InChI | InChI=1S/C14H24N2O4S/c1-13(2,3)19-11(17)15-8-7-9-16(10(15)21)12(18)20-14(4,5)6/h7-9H2,1-6H3 |
| InChI Key | VLDPGLLUMUWOQG-UHFFFAOYSA-N |
| MDL Number | MFCD24466221 |
| Molecular Formula | C14H24N2O4S |
| Molecular Weight | 316.4164 |
| SMILES | CC(OC(N1C(=S)N(C(OC(C)(C)C)=O)CCC1)=O)(C)C |
| Synonyms | di-tert-butyl 2-thioxodihydropyrimidine-1,3(2H,4H)-dicarboxylate,
173300-85-1,
SCHEMBL3255385,
Dihydro-2-thioxopyrimidine-1,3(2H,4H)-dicarboxylic acid di-tert-butyl ester,
CID10615350,
Ditert-butyl 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.416g/mol |
| Monoisotopic Mass | 316.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number