| CAS Number | 41085-32-9 |
| Catalog Number | AG019W9S(AGN-PC-00K25Y) |
| Chemical Name | 2-Methanesulfinylaniline |
| IUPAC Name | 2-methylsulfinylaniline |
| InChI | InChI=1S/C7H9NOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 |
| InChI Key | OGUIFELBZNMXGH-UHFFFAOYSA-N |
| MDL Number | MFCD14631764 |
| Molecular Formula | C7H9NOS |
| Molecular Weight | 155.2175 |
| SMILES | CS(C1=C(N)C=CC=C1)=O |
| Synonyms | 2-methanesulfinylaniline,
41085-32-9,
2-(Methylsulfinyl)aniline,
o-aminophenyl methyl sulfoxide,
SCHEMBL519454,
Methyl[2-aminophenyl] sulfoxide,
OGUIFELBZNMXGH-UHFFFAOYSA-N,
AKOS008143250,
MCULE-3973680950,
NE15806,
FT-0738681,
EN300-51159,
2-Methylsulfinylaniline,
2-(methylsulfinyl)Benzenamine,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.215g/mol |
| Monoisotopic Mass | 155.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number