| CAS Number | 58259-33-9 |
| Catalog Number | AG01AHUT(AGN-PC-00N8LM) |
| Chemical Name | N-Methyl-4-(methylsulfanyl)aniline |
| IUPAC Name | N-methyl-4-methylsulfanylaniline |
| InChI | InChI=1S/C8H11NS/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3 |
| InChI Key | MYSBCDNQBNCKGJ-UHFFFAOYSA-N |
| MDL Number | MFCD09743426 |
| Molecular Formula | C8H11NS |
| Molecular Weight | 153.2446 |
| SMILES | CNC1=CC=C(SC)C=C1 |
| Synonyms | N-methyl-4-(methylsulfanyl)aniline,
58259-33-9,
N-Methyl-4-(methylthio)aniline,
SCHEMBL6971804,
N-methyl-4-methylsulfanylaniline,
CTK1F0202,
DTXSID80544750,
ZINC15446554,
AKOS000250982,
MCULE-7015565923,
NE59455,
Benzenamine, N-methyl-4-(methylthio)-,
EN300-75890,
Z1267882069,
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| Complexity | 87.3 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number