| CAS Number | 954575-40-7 |
| Catalog Number | AG019VV9 |
| Chemical Name | 2-[(4-Acetamidophenyl)sulfanyl]propanoic acid |
| IUPAC Name | 2-(4-acetamidophenyl)sulfanylpropanoic acid |
| InChI | InChI=1S/C11H13NO3S/c1-7(11(14)15)16-10-5-3-9(4-6-10)12-8(2)13/h3-7H,1-2H3,(H,12,13)(H,14,15) |
| InChI Key | OLWFGPQNJWSRSA-UHFFFAOYSA-N |
| MDL Number | MFCD09741478 |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.2908 |
| SMILES | CC(C(O)=O)SC1=CC=C(NC(C)=O)C=C1 |
| Synonyms | 2-[(4-acetamidophenyl)sulfanyl]propanoic acid,
954575-40-7,
AC1Q2C4D,
CTK6A0893,
AKOS000150693,
AKOS017268725,
MCULE-8849812164,
NE40228,
EN300-49619,
Z56279652,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.289g/mol |
| Monoisotopic Mass | 239.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number