| CAS Number | 83443-28-1 |
| Catalog Number | AG019IUC |
| Chemical Name | 2-chloro-N-{2-[(cyanomethyl)sulfanyl]phenyl}acetamide |
| IUPAC Name | 2-chloro-N-[2-(cyanomethylsulfanyl)phenyl]acetamide |
| InChI | InChI=1S/C10H9ClN2OS/c11-7-10(14)13-8-3-1-2-4-9(8)15-6-5-12/h1-4H,6-7H2,(H,13,14) |
| InChI Key | PSQPTDYINCRYJB-UHFFFAOYSA-N |
| MDL Number | MFCD06654996 |
| Molecular Formula | C10H9ClN2OS |
| Molecular Weight | 240.7093 |
| SMILES | ClCC(NC1=C(SCC#N)C=CC=C1)=O |
| Synonyms | 2-chloro-N-{2-[(cyanomethyl)sulfanyl]phenyl}acetamide,
2-chloro-N-{2-[(cyanomethyl)thio]phenyl}acetamide,
EN300-07747,
83443-28-1,
AC1MXMNU,
AC1Q3TKI,
CTK7D0696,
ZINC3887089,
AKOS008044227,
MCULE-2609068430,
NE13312,
2-chloro-N-[2-(cyanomethylsulfanyl)phenyl]acetamide,
ZINC03887089,
CID3768052,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.705g/mol |
| Monoisotopic Mass | 240.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number