| CAS Number | 1657-82-5 |
| Catalog Number | AG01BF3T(AGN-PC-0O4PXH) |
| Chemical Name | 2-methoxy-4-(methylsulfanyl)aniline hydrochloride |
| IUPAC Name | 2-methoxy-4-methylsulfanylaniline;hydrochloride |
| InChI | InChI=1S/C8H11NOS.ClH/c1-10-8-5-6(11-2)3-4-7(8)9;/h3-5H,9H2,1-2H3;1H |
| InChI Key | MFSQQZUMFMDTAP-UHFFFAOYSA-N |
| MDL Number | MFCD22054917 |
| Molecular Formula | C8H12ClNOS |
| Molecular Weight | 205.7050 |
| SMILES | Cl.COC1=C(N)C=CC(SC)=C1 |
| Synonyms | 2-methoxy-4-(methylsulfanyl)aniline hydrochloride,
1657-82-5,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.7g/mol |
| Monoisotopic Mass | 205.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number