| CAS Number | 92643-47-5 |
| Catalog Number | AG01ABQ7(AGN-PC-00MAUJ) |
| Chemical Name | 2-(methanesulfinylmethyl)aniline |
| IUPAC Name | 2-(methylsulfinylmethyl)aniline |
| InChI | InChI=1S/C8H11NOS/c1-11(10)6-7-4-2-3-5-8(7)9/h2-5H,6,9H2,1H3 |
| InChI Key | LAXXKLGNKWYFGA-UHFFFAOYSA-N |
| MDL Number | MFCD14613638 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CS(CC1=C(N)C=CC=C1)=O |
| Synonyms | 2-(methanesulfinylmethyl)aniline,
92643-47-5,
o-Methylsulfinylmethylanilin,
SCHEMBL6527127,
AKOS010539356,
NE15792,
|
| Complexity | 149 |
| 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 | 62.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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