| CAS Number | 1909326-35-7 |
| Catalog Number | AG01C1Y2 |
| Chemical Name | tert-butyl 3-carbamothioylbenzoate |
| IUPAC Name | tert-butyl 3-carbamothioylbenzoate |
| InChI | InChI=1S/C12H15NO2S/c1-12(2,3)15-11(14)9-6-4-5-8(7-9)10(13)16/h4-7H,1-3H3,(H2,13,16) |
| InChI Key | ICDHIWNFHHLVRR-UHFFFAOYSA-N |
| MDL Number | MFCD29047496 |
| Molecular Formula | C12H15NO2S |
| Molecular Weight | 237.318 |
| SMILES | CC(OC(C1=CC(C(N)=S)=CC=C1)=O)(C)C |
| Synonyms | tert-butyl 3-carbamothioylbenzoate,
1909326-35-7,
ZINC299805310,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.317g/mol |
| Monoisotopic Mass | 237.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number