Basic information
- CAS
173999-09-2- Standard SMILES
NCCc1cc2cc(Br)ccc2s1- InChIKey
XGRZYOQFGMBRFG-UHFFFAOYSA-N- Molecular formula
- C10H10BrNS
- Average molar mass
- 256.16 g/mol
- Monoisotopic mass
- 254.97173
Names & identifiers
- Preferred name
- 5-Bromobenzo[b]thiophene-2-ethanamine
- IUPAC
- 2-(5-bromo-1-benzothiophen-2-yl)ethanamine
Names & synonyms
5-Bromobenzo[b]thiophene-2-ethanamine173999-09-2SCHEMBL9116915DTXSID6012853822-(5-Bromo-1-benzothiophen-2-yl)ethan-1-amine
Database identifiers
- CAS
173999-09-2- PubChem CID
- 32099
- DTXSID
DTXSID601285382
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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