| CAS Number | 1153516-08-5 |
| Catalog Number | AG01AAPQ |
| Chemical Name | 1-{4-[(2-Methoxyethyl)sulfanyl]phenyl}ethan-1-amine |
| IUPAC Name | 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine |
| InChI | InChI=1S/C11H17NOS/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9H,7-8,12H2,1-2H3 |
| InChI Key | ILSISFPAOKEPMC-UHFFFAOYSA-N |
| MDL Number | MFCD12172270 |
| Molecular Formula | C11H17NOS |
| Molecular Weight | 211.3238 |
| SMILES | COCCSC1=CC=C(C(N)C)C=C1 |
| Synonyms | 1-{4-[(2-methoxyethyl)sulfanyl]phenyl}ethan-1-amine,
1153516-08-5,
AC1Q4GD0,
AKOS009481289,
MCULE-4694452161,
NE53213,
EN300-69247,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.323g/mol |
| Monoisotopic Mass | 211.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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