| CAS Number | 1082443-87-5 |
| Catalog Number | AG01AHGJ |
| Chemical Name | 2-{[2-(3-bromophenoxy)ethyl]sulfanyl}ethan-1-amine |
| IUPAC Name | 2-[2-(3-bromophenoxy)ethylsulfanyl]ethanamine |
| InChI | InChI=1S/C10H14BrNOS/c11-9-2-1-3-10(8-9)13-5-7-14-6-4-12/h1-3,8H,4-7,12H2 |
| InChI Key | ICOXAMUEBNDJNL-UHFFFAOYSA-N |
| MDL Number | MFCD11577801 |
| Molecular Formula | C10H14BrNOS |
| Molecular Weight | 276.1933 |
| SMILES | NCCSCCOC1=CC(Br)=CC=C1 |
| Synonyms | 2-{[2-(3-bromophenoxy)ethyl]sulfanyl}ethan-1-amine,
1-{2-[(2-aminoethyl)sulfanyl]ethoxy}-3-bromobenzene,
1082443-87-5,
ZINC20399332,
AKOS009397743,
MCULE-7439111940,
NE29026,
EN300-74683,
Z1267773599,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.192g/mol |
| Monoisotopic Mass | 274.998g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number