| CAS Number | 874623-14-0 |
| Catalog Number | AG00GUD4 |
| Chemical Name | N-[5-(Chloroacetyl)-2-(methylthio)phenyl]acetamide |
| IUPAC Name | N-[5-(2-chloroacetyl)-2-methylsulfanylphenyl]acetamide |
| InChI | InChI=1S/C11H12ClNO2S/c1-7(14)13-9-5-8(10(15)6-12)3-4-11(9)16-2/h3-5H,6H2,1-2H3,(H,13,14) |
| InChI Key | MEYMBNBCMWONRG-UHFFFAOYSA-N |
| MDL Number | MFCD07691362 |
| Molecular Formula | C11H12ClNO2S |
| Molecular Weight | 257.7365 |
| SMILES | CC(NC1=CC(C(CCl)=O)=CC=C1SC)=O |
| Synonyms | 874623-14-0,
N-[5-(chloroacetyl)-2-(methylthio)phenyl]acetamide,
N-[5-(2-chloroacetyl)-2-(methylsulfanyl)phenyl]acetamide,
AC1OFMFC,
AC1Q4GWO,
CTK6H4698,
ZINC4219152,
AKOS009075579,
MCULE-2402470059,
NE20018,
EN300-23484,
J-523349,
N-(5-(2-Chloroacetyl)-2-(methylthio)phenyl)acetamide,
N-[5-(2-chloroacetyl)-2-methylsulfanylphenyl]acetamide,
ZINC04219152,
CID7131865,
1,3-benzothiazol-2-yl(dichloro)acetonitrile,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.732g/mol |
| Monoisotopic Mass | 257.028g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number