| CAS Number | 1020995-38-3 |
| Catalog Number | AG01BXV1 |
| Chemical Name | N-(2-methoxyethyl)-4-(methylsulfanyl)aniline |
| IUPAC Name | N-(2-methoxyethyl)-4-methylsulfanylaniline |
| InChI | InChI=1S/C10H15NOS/c1-12-8-7-11-9-3-5-10(13-2)6-4-9/h3-6,11H,7-8H2,1-2H3 |
| InChI Key | MOROAEHJANPGPZ-UHFFFAOYSA-N |
| MDL Number | MFCD11151609 |
| Molecular Formula | C10H15NOS |
| Molecular Weight | 197.2972 |
| SMILES | COCCNC1=CC=C(SC)C=C1 |
| Synonyms | N-(2-METHOXYETHYL)-4-(METHYLSULFANYL)ANILINE,
1020995-38-3,
ZINC20043783,
AKOS000251186,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.296g/mol |
| Monoisotopic Mass | 197.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number