| CAS Number | 182120-83-8 |
| Catalog Number | AG01DQFP |
| Chemical Name | tert-Butyl n-[(4-carbamothioyl-1,3-thiazol-2-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(4-carbamothioyl-1,3-thiazol-2-yl)methyl]carbamate |
| InChI | InChI=1S/C10H15N3O2S2/c1-10(2,3)15-9(14)12-4-7-13-6(5-17-7)8(11)16/h5H,4H2,1-3H3,(H2,11,16)(H,12,14) |
| InChI Key | AQQCPIJDNPUTHG-UHFFFAOYSA-N |
| MDL Number | MFCD24466230 |
| Molecular Formula | C10H15N3O2S2 |
| Molecular Weight | 273.3750 |
| SMILES | O=C(OC(C)(C)C)NCC1=NC(C(N)=S)=CS1 |
| Synonyms | TERT-BUTYL N-[(4-CARBAMOTHIOYL-1,3-THIAZOL-2-YL)METHYL]CARBAMATE,
182120-83-8,
SCHEMBL20679754,
2-[[(tert-Butyloxycarbonyl)amino]methyl]-4-thiazolecarbothioamide,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.060569g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.4g/mol |
| Monoisotopic Mass | 273.060569g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 138Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number