| CAS Number | 22865-62-9 |
| Catalog Number | AG00BHM0(AGN-PC-0091SX) |
| Chemical Name | 4-(Methylsulfinyl)aniline |
| IUPAC Name | 4-methylsulfinylaniline |
| InChI | InChI=1S/C7H9NOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 |
| InChI Key | SULNLNVYOGZGNK-UHFFFAOYSA-N |
| MDL Number | MFCD14631763 |
| Molecular Formula | C7H9NOS |
| Molecular Weight | 155.2175 |
| SMILES | CS(=O)C1=CC=C(N)C=C1 |
| Synonyms | 4-methanesulfinylaniline,
4-(Methylsulfinyl)aniline,
22865-62-9,
Benzenamine, 4-(methylsulfinyl)-,
p-methylsulfinylaniline,
SCHEMBL514595,
4-(methanesulfinyl)phenylamine,
Methyl 4-aminophenyl sulfoxide,
SCHEMBL8811624,
SULNLNVYOGZGNK-UHFFFAOYSA-N,
AKOS008143815,
MCULE-3065186334,
NE29729,
FT-0716065,
EN300-51157,
4-Methylsulfinylaniline,
4-(methylsulfinyl)Benzenamine,
CID11435065,
|
| Complexity | 130 |
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number