(1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride

C6H9BrClNS — CID 75412141

IUPAC(1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(Br)s1.Cl
InChIInChI=1S/C6H8BrNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H/t4-;/m0./s1
InChIKeyZGWRLJDOXYAZRI-WCCKRBBISA-N
MW242.57 g/mol
LogP2.95
Rot. Bonds1

About (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride

(1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride (PubChem CID 75412141) has the molecular formula C6H9BrClNS and a molecular weight of 242.57 g/mol. Its IUPAC name is (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride
PubChem CID75412141
Molecular FormulaC6H9BrClNS
Molecular Weight242.57 g/mol
Exact Mass240.93
IUPAC Name(1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(Br)s1.Cl
InChIInChI=1S/C6H8BrNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H/t4-;/m0./s1
InChIKeyZGWRLJDOXYAZRI-WCCKRBBISA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride (CID 75412141) is (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride is C[C@H](N)c1ccc(Br)s1.Cl.
What is the InChIKey of (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
The InChIKey is ZGWRLJDOXYAZRI-WCCKRBBISA-N. The full InChI is InChI=1S/C6H8BrNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H/t4-;/m0./s1.
What are the key properties of (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride?
(1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride has a molecular weight of 242.57 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromothiophen-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 75412141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).