| CAS Number | 1797033-40-9 |
| Catalog Number | AG01AV1S |
| Chemical Name | methyl 2-amino-3-(methylsulfanyl)benzoate hydrochloride |
| IUPAC Name | methyl 2-amino-3-methylsulfanylbenzoate;hydrochloride |
| InChI | InChI=1S/C9H11NO2S.ClH/c1-12-9(11)6-4-3-5-7(13-2)8(6)10;/h3-5H,10H2,1-2H3;1H |
| InChI Key | YYNOOKGAVYWZGM-UHFFFAOYSA-N |
| MDL Number | MFCD27959435 |
| Molecular Formula | C9H12ClNO2S |
| Molecular Weight | 233.7151 |
| SMILES | Cl.COC(C1=C(N)C(SC)=CC=C1)=O |
| Synonyms | methyl 2-amino-3-(methylsulfanyl)benzoate hydrochloride,
1797033-40-9,
AKOS033584786,
MCULE-4851494100,
Z1770193276,
|
| Complexity | 187 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.71g/mol |
| Monoisotopic Mass | 233.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number