| CAS Number | 1262964-13-5 |
| Catalog Number | AG01FN3I(AGN-PC-3H5NEE) |
| Chemical Name | ((3-chlorophenyl)sulfonyl)methionine |
| IUPAC Name | 2-[(3-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid |
| InChI | InChI=1S/C11H14ClNO4S2/c1-18-6-5-10(11(14)15)13-19(16,17)9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3,(H,14,15) |
| InChI Key | RUTVKXJQNPCTNU-UHFFFAOYSA-N |
| MDL Number | MFCD07433678 |
| Molecular Formula | C11H14ClNO4S2 |
| Molecular Weight | 323.8162 |
| SMILES | CSCCC(C(O)=O)NS(=O)(=O)C1C=C(Cl)C=CC=1 |
| Synonyms | ((3-chlorophenyl)sulfonyl)methionine,
MFCD06409389,
AKOS000813614,
AKOS016050296,
MCULE-4716808136,
F9995-0620,
2-(3-chlorophenylsulfonamido)-4-(methylthio)butanoic acid,
1262964-13-5,
N-(3-Chlorophenylsulfonyl)-S-methyl-DL-homocysteine,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.806g/mol |
| Monoisotopic Mass | 323.005g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number