| CAS Number | 864738-25-0 |
| Catalog Number | AG00IE37(AGN-PC-0FD3I9) |
| Chemical Name | tert-Butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate |
| IUPAC Name | tert-butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate |
| InChI | InChI=1S/C13H16N2O2S/c1-13(2,3)17-12(16)14-8-11-15-9-6-4-5-7-10(9)18-11/h4-7H,8H2,1-3H3,(H,14,16) |
| InChI Key | WDBJYSYXXUQTSI-UHFFFAOYSA-N |
| MDL Number | MFCD21105873 |
| Molecular Formula | C13H16N2O2S |
| Molecular Weight | 264.3433 |
| SMILES | O=C(OC(C)(C)C)NCc1nc2c(s1)cccc2 |
| Synonyms | 864738-25-0,
tert-Butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate,
tert-Butyl (benzo[d]thiazol-2-ylmethyl)carbamate,
SCHEMBL4159541,
ZINC82608937,
AKOS013099779,
V8195,
2-(tert-Butyloxycarbonylaminomethyl)benzothiazole,
Carbamic acid, (2-benzothiazolylmethyl)-, 1,1-dimethylethyl ester,
C13H16N2O2S,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.343g/mol |
| Monoisotopic Mass | 264.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number