| CAS Number | 1258934-67-6 |
| Catalog Number | AG01FS32(AGN-PC-3H5POA) |
| Chemical Name | 1,1-Dimethylethyl N-(2-chloro-4-thiazolyl)carbamate |
| IUPAC Name | tert-butyl N-(2-chloro-1,3-thiazol-4-yl)carbamate |
| InChI | InChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-5-4-14-6(9)10-5/h4H,1-3H3,(H,11,12) |
| InChI Key | OVQFRLNQQHOGKV-UHFFFAOYSA-N |
| MDL Number | MFCD30188981 |
| Molecular Formula | C8H11ClN2O2S |
| Molecular Weight | 234.7031 |
| SMILES | O=C(OC(C)(C)C)NC1=CSC(Cl)=N1 |
| Synonyms | tert-Butyl (2-chlorothiazol-4-yl)carbamate,
1258934-67-6,
ZINC575442147,
AX8330197,
AK00739733,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.022976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.7g/mol |
| Monoisotopic Mass | 234.022976g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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