| CAS Number | 1306905-83-8 |
| Catalog Number | AG019S1P |
| Chemical Name | 2-(Ethanesulfinyl)aniline |
| IUPAC Name | 2-ethylsulfinylaniline |
| InChI | InChI=1S/C8H11NOS/c1-2-11(10)8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3 |
| InChI Key | XITROMZTFGRJFN-UHFFFAOYSA-N |
| MDL Number | MFCD14643924 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CCS(C1=C(N)C=CC=C1)=O |
| Synonyms | 2-(ethanesulfinyl)aniline,
1306905-83-8,
2-(ethylsulfinyl)aniline,
STL220971,
AKOS008146286,
MCULE-1022262361,
EN300-91434,
|
| 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 | 1.2 |
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