| CAS Number | 75235-67-5 |
| Catalog Number | AG01B8YQ |
| Chemical Name | Tert-Butyl 2-Carbamothioyl-2,2-Dimethylacetate |
| IUPAC Name | tert-butyl 3-amino-2,2-dimethyl-3-sulfanylidenepropanoate |
| InChI | InChI=1S/C9H17NO2S/c1-8(2,3)12-7(11)9(4,5)6(10)13/h1-5H3,(H2,10,13) |
| InChI Key | VBZRIIYWBBDXAI-UHFFFAOYSA-N |
| MDL Number | MFCD24625932 |
| Molecular Formula | C9H17NO2S |
| Molecular Weight | 203.3018 |
| SMILES | O=C(OC(C)(C)C)C(C)(C(N)=S)C |
| Synonyms | tert-butyl 2-carbamothioyl-2,2-dimethylacetate,
75235-67-5,
ZINC238116211,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.3g/mol |
| Monoisotopic Mass | 203.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number