| CAS Number | 876191-56-9 |
| Catalog Number | AG00IEPA(AGN-PC-07HB98) |
| Chemical Name | 4-N-Boc amino-3-methyl isothiazole |
| IUPAC Name | tert-butyl N-(3-methyl-1,2-thiazol-4-yl)carbamate |
| InChI | InChI=1S/C9H14N2O2S/c1-6-7(5-14-11-6)10-8(12)13-9(2,3)4/h5H,1-4H3,(H,10,12) |
| InChI Key | KIQMUEBPBWDMKO-UHFFFAOYSA-N |
| MDL Number | MFCD11499025 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | CC1C(NC(OC(C)(C)C)=O)=CSN=1 |
| Synonyms | 876191-56-9,
4-N-boc amino-3-methyl isothiazole,
tert-Butyl (3-methylisothiazol-4-yl)carbamate,
Carbamic acid, (3-methyl-4-isothiazolyl)-, 1,1-dimethylethyl ester,
SCHEMBL3865123,
KIQMUEBPBWDMKO-UHFFFAOYSA-N,
4-(Boc-amino)-3-methylisothiazole,
ZINC31776843,
AKOS027276153,
FT-0696804,
(3-methyl-isothiazol-4-yl)-carbamic acid tert-butyl ester,
tert-butyl N-(3-methyl-1,2-thiazol-4-yl)carbamate,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number