| CAS Number | 1000532-83-1 |
| Catalog Number | AG01BTSN |
| Chemical Name | 2-(3-bromothiophen-2-yl)ethan-1-amine |
| IUPAC Name | 2-(3-bromothiophen-2-yl)ethanamine |
| InChI | InChI=1S/C6H8BrNS/c7-5-2-4-9-6(5)1-3-8/h2,4H,1,3,8H2 |
| InChI Key | BVSQAZYETHNSGE-UHFFFAOYSA-N |
| MDL Number | MFCD08448951 |
| Molecular Formula | C6H8BrNS |
| Molecular Weight | 206.1034 |
| SMILES | NCCC1=C(Br)C=CS1 |
| Synonyms | 2-(3-bromothiophen-2-yl)ethan-1-amine,
1000532-83-1,
ZINC43674240,
AKOS010997153,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.101g/mol |
| Monoisotopic Mass | 204.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number