| CAS Number | 1071602-10-2 |
| Catalog Number | AG01C2JJ |
| Chemical Name | 4-methoxy-3-(methylsulfanyl)aniline |
| IUPAC Name | 4-methoxy-3-methylsulfanylaniline |
| InChI | InChI=1S/C8H11NOS/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3 |
| InChI Key | WCIQTYNTIBMZKI-UHFFFAOYSA-N |
| MDL Number | MFCD22489025 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.244 |
| SMILES | COC1=C(SC)C=C(N)C=C1 |
| Synonyms | 4-methoxy-3-(methylsulfanyl)aniline,
1071602-10-2,
4-methoxy-3-(methylthio)benzenamine,
AKOS033848761,
ZINC238367492,
Z2284387533,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.242g/mol |
| Monoisotopic Mass | 169.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number