| CAS Number | 1461708-09-7 |
| Catalog Number | AG01ABKD |
| Chemical Name | 3-[(2-amino-5-methylphenyl)sulfanyl]propanoic acid hydrochloride |
| IUPAC Name | 3-(2-amino-5-methylphenyl)sulfanylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2S.ClH/c1-7-2-3-8(11)9(6-7)14-5-4-10(12)13;/h2-3,6H,4-5,11H2,1H3,(H,12,13);1H |
| InChI Key | ZQCDPLPXTGYODZ-UHFFFAOYSA-N |
| MDL Number | MFCD25970525 |
| Molecular Formula | C10H14ClNO2S |
| Molecular Weight | 247.7417 |
| SMILES | Cl.CC1=CC(SCCC(O)=O)=C(N)C=C1 |
| Synonyms | 3-[(2-amino-5-methylphenyl)sulfanyl]propanoic acid hydrochloride,
1461708-09-7,
MCULE-4729698737,
NE17193,
Z1675167240,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.737g/mol |
| Monoisotopic Mass | 247.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number