| CAS Number | 83164-93-6 |
| Catalog Number | AG00G8TL(AGN-PC-0NK42F) |
| Chemical Name | 3-(ethylsulfonyl)Benzenamine |
| IUPAC Name | 3-ethylsulfonylaniline |
| InChI | InChI=1S/C8H11NO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3 |
| InChI Key | ZCIQLGLOYPISKI-UHFFFAOYSA-N |
| MDL Number | MFCD11189664 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | NC1=CC=CC(S(=O)(CC)=O)=C1 |
| Synonyms | 3-(ethanesulfonyl)aniline,
83164-93-6,
3-(ethylsulfonyl)Benzenamine,
3-(ethylsulfonyl)aniline,
3-ethylsulfonylaniline,
3-Ethylsulfonylphenylamine,
3-(Ethylsulfonyl)-aniline,
SCHEMBL1156252,
ZCIQLGLOYPISKI-UHFFFAOYSA-N,
MFCD11189664,
ZINC19789025,
AKOS009253386,
MCULE-2915588887,
NE47739,
DA-02999,
FT-0707708,
EN300-80734,
Z1695922887,
|
| 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 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number