| CAS Number | 548456-77-5 |
| Catalog Number | AG019VGZ(AGN-PC-0KIICP) |
| Chemical Name | 2-Chloro-5-(methylsulfanyl)benzamide |
| IUPAC Name | 2-chloro-5-methylsulfanylbenzamide |
| InChI | InChI=1S/C8H8ClNOS/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | NLPPJZYFXDIBNY-UHFFFAOYSA-N |
| MDL Number | MFCD06384552 |
| Molecular Formula | C8H8ClNOS |
| Molecular Weight | 201.6732 |
| SMILES | O=C(N)C1=CC(SC)=CC=C1Cl |
| Synonyms | 2-chloro-5-(methylsulfanyl)benzamide,
548456-77-5,
EN300-45213,
AC1M9ZSB,
AC1Q4GXB,
CTK7B4878,
2-chloro-5-methylsulfanylbenzamide,
ZINC3476697,
AKOS008937772,
FCH5007522,
MCULE-5109239213,
NE26501,
BBV-38773094,
SR-01000064249,
SR-01000064249-1,
Z33546773,
ZINC03476697,
CID2594451,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.668g/mol |
| Monoisotopic Mass | 201.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number