| CAS Number | 1026915-82-1 |
| Catalog Number | AG01C3HL |
| Chemical Name | 2-Methoxy-6-(methylsulfanyl)aniline |
| IUPAC Name | 2-methoxy-6-methylsulfanylaniline |
| InChI | InChI=1S/C8H11NOS/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3 |
| InChI Key | NVTWONXOFDXVOM-UHFFFAOYSA-N |
| MDL Number | MFCD20716846 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | NC1=C(SC)C=CC=C1OC |
| Synonyms | 2-methoxy-6-(methylsulfanyl)aniline,
1026915-82-1,
2-methoxy-6-(methylthio)benzenamine,
ZINC36458848,
AKOS030757672,
Z2350907393,
2-methoxy-6-methylsulfanyl-aniline,
CID11819441,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number