| CAS Number | 7292-80-0 |
| Catalog Number | AG005NVD(AGN-PC-0U1PRE) |
| Chemical Name | Amino[4-(methylsulfanyl)phenyl]acetic acid |
| IUPAC Name | 2-amino-2-(4-methylsulfanylphenyl)acetic acid |
| InChI | InChI=1S/C9H11NO2S/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12) |
| InChI Key | ZWKWPONGVMNKOM-UHFFFAOYSA-N |
| MDL Number | MFCD02662405 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | CSC1=CC=C(C(C(O)=O)N)C=C1 |
| Synonyms | amino[4-(methylsulfanyl)phenyl]acetic acid,
7292-80-0,
2-Amino-2-(4-(methylthio)phenyl)acetic acid,
2-amino-2-(4-methylsulfanylphenyl)acetic Acid,
AC1ND5X7,
CHEMBL132382,
SCHEMBL11686501,
CTK5D7078,
DTXSID00404100,
BBL022156,
KM1523,
MFCD02662405,
STK133993,
AKOS001476091,
MCULE-3251314994,
SC-59520,
Amino-(4-methylsulfanyl-phenyl)-acetic acid,
V7512,
2-amino-2-[4-(methylsulfanyl)phenyl]acetic acid,
C9H11NO2S,
CID4544809,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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