| CAS Number | 42182-64-9 |
| Catalog Number | AG00CNOS |
| Chemical Name | N-[(1,3-benzothiazol-2-yl)methyl]acetamide |
| IUPAC Name | N-(1,3-benzothiazol-2-ylmethyl)acetamide |
| InChI | InChI=1S/C10H10N2OS/c1-7(13)11-6-10-12-8-4-2-3-5-9(8)14-10/h2-5H,6H2,1H3,(H,11,13) |
| InChI Key | RQSUAVZMWULJIX-UHFFFAOYSA-N |
| MDL Number | MFCD12306342 |
| Molecular Formula | C10H10N2OS |
| Molecular Weight | 206.2642 |
| SMILES | CC(NCC1SC2=C(C=CC=C2)N=1)=O |
| Synonyms | 42182-64-9,
N-(benzo[d]thiazol-2-ylmethyl)acetamide,
N-(1,3-Benzothiazol-2-ylmethyl)acetamide,
Acetamide, N-(2-benzothiazolylmethyl)- (9CI),
CTK8I6969,
ZINC23424602,
AKOS007983567,
MCULE-3733739536,
ACETAMIDE,N-(2-BENZOTHIAZOLYLMETHYL)-,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.263g/mol |
| Monoisotopic Mass | 206.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number