| CAS Number | 1341620-91-4 |
| Catalog Number | AG01A4OB |
| Chemical Name | 2-Methyl-5-(methylsulfanyl)aniline |
| IUPAC Name | 2-methyl-5-methylsulfanylaniline |
| InChI | InChI=1S/C8H11NS/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,9H2,1-2H3 |
| InChI Key | DPLONPJSALIOAI-UHFFFAOYSA-N |
| MDL Number | MFCD17248204 |
| Molecular Formula | C8H11NS |
| Molecular Weight | 153.2446 |
| SMILES | CSC1=CC(N)=C(C)C=C1 |
| Synonyms | 2-methyl-5-(methylsulfanyl)aniline,
1341620-91-4,
ZINC61702107,
AKOS012207735,
NE20446,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.243g/mol |
| Monoisotopic Mass | 153.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number