| CAS Number | 25195-69-1 |
| Catalog Number | AG00I4T5 |
| Chemical Name | 2-(Methanesulfonylmethyl)aniline |
| IUPAC Name | 2-(methylsulfonylmethyl)aniline |
| InChI | InChI=1S/C8H11NO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6,9H2,1H3 |
| InChI Key | FYOZRCYKUKGDHH-UHFFFAOYSA-N |
| MDL Number | MFCD12823721 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CS(=O)(CC1=C(C=CC=C1)N)=O |
| Synonyms | 2-(methanesulfonylmethyl)aniline,
25195-69-1,
2-((Methylsulfonyl)methyl)aniline,
AC1Q4GLW,
SCHEMBL2634762,
CTK7D9562,
FYOZRCYKUKGDHH-UHFFFAOYSA-N,
2-methanesulfonylmethyl-phenylamine,
ZINC38063783,
AKOS010253270,
MCULE-2708018873,
NE51556,
Benzenamine, 2-[(methylsulfonyl)methyl]-,
EN300-59872,
Z1262250850,
2-[(methylsulfonyl)methyl]Benzenamine,
N/A,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number