| CAS Number | 857830-21-8 |
| Catalog Number | AG019IKX |
| Chemical Name | 2-Benzenesulfonamido-4-(methylsulfanyl)butanoic acid |
| IUPAC Name | 2-(benzenesulfonamido)-4-methylsulfanylbutanoic acid |
| InChI | InChI=1S/C11H15NO4S2/c1-17-8-7-10(11(13)14)12-18(15,16)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,13,14) |
| InChI Key | QUSPUZQKMRMVFL-UHFFFAOYSA-N |
| MDL Number | MFCD01250166 |
| Molecular Formula | C11H15NO4S2 |
| Molecular Weight | 289.3711 |
| SMILES | CSCCC(C(O)=O)NS(C1=CC=CC=C1)(=O)=O |
| Synonyms | 2-benzenesulfonamido-4-(methylsulfanyl)butanoic acid,
4-(methylthio)-2-[(phenylsulfonyl)amino]butanoic acid,
857830-21-8,
51786-15-3,
AC1Q4HDU,
AC1MX1A4,
AKOS000117139,
AKOS017264083,
MCULE-4626406124,
NE22387,
ST51005029,
EN300-07010,
SR-01000045504,
2-(benzenesulfonamido)-4-methylsulfanylbutanoic acid,
4-methylthio-2-[(phenylsulfonyl)amino]butanoic acid,
SR-01000045504-1,
Z45637253,
4- -2-[ AMINO]BUTANOICACID,
CID3808366,
2-(benzenesulfonamido)-4-methylsulfanyl-butanoic Acid,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.364g/mol |
| Monoisotopic Mass | 289.044g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number