| CAS Number | 1803584-33-9 |
| Catalog Number | AG01B9MH |
| Chemical Name | 2-[(4-aminophenyl)sulfanyl]propanoic acid hydrochloride |
| IUPAC Name | 2-(4-aminophenyl)sulfanylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2S.ClH/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;/h2-6H,10H2,1H3,(H,11,12);1H |
| InChI Key | NVBJTDTXZPWIBZ-UHFFFAOYSA-N |
| MDL Number | MFCD28383927 |
| Molecular Formula | C9H12ClNO2S |
| Molecular Weight | 233.7151 |
| SMILES | Cl.CC(C(O)=O)SC1=CC=C(N)C=C1 |
| Synonyms | 2-[(4-aminophenyl)sulfanyl]propanoic acid hydrochloride,
1803584-33-9,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.71g/mol |
| Monoisotopic Mass | 233.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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