| CAS Number | 1154398-94-3 |
| Catalog Number | AG01AJ42 |
| Chemical Name | 3-{[(2-methoxyethyl)sulfanyl]methyl}aniline |
| IUPAC Name | 3-(2-methoxyethylsulfanylmethyl)aniline |
| InChI | InChI=1S/C10H15NOS/c1-12-5-6-13-8-9-3-2-4-10(11)7-9/h2-4,7H,5-6,8,11H2,1H3 |
| InChI Key | SHIHFYYEXDXVMN-UHFFFAOYSA-N |
| MDL Number | MFCD12172187 |
| Molecular Formula | C10H15NOS |
| Molecular Weight | 197.2972 |
| SMILES | COCCSCC1=CC(N)=CC=C1 |
| Synonyms | 3-{[(2-methoxyethyl)sulfanyl]methyl}aniline,
1154398-94-3,
ZINC35321811,
AKOS009482164,
MCULE-8265915195,
NE50437,
EN300-79722,
Z1269702308,
|
| Complexity | 132 |
| 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 | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number