| CAS Number | 879319-04-7 |
| Catalog Number | AG019PEG |
| Chemical Name | 2-chloro-N-[2-(phenylsulfanyl)phenyl]propanamide |
| IUPAC Name | 2-chloro-N-(2-phenylsulfanylphenyl)propanamide |
| InChI | InChI=1S/C15H14ClNOS/c1-11(16)15(18)17-13-9-5-6-10-14(13)19-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18) |
| InChI Key | IBLDQWLDRMLMDA-UHFFFAOYSA-N |
| MDL Number | MFCD08261040 |
| Molecular Formula | C15H14ClNOS |
| Molecular Weight | 291.7958 |
| SMILES | CC(C(NC1=C(SC2=CC=CC=C2)C=CC=C1)=O)Cl |
| Synonyms | 2-chloro-N-[2-(phenylsulfanyl)phenyl]propanamide,
879319-04-7,
2-chloro-N-[2-(phenylthio)phenyl]propanamide,
AC1Q2AVW,
CTK7F4352,
MFCD08261040,
AKOS001273157,
AKOS016893287,
MCULE-2664392204,
NE25054,
EN300-23359,
2-CHLORO-N-(2-PHENYLSULFANYL-PHENYL)PROPIONAMIDE,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.793g/mol |
| Monoisotopic Mass | 291.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number