2-(5-bromothiophen-2-yl)ethylazanium

C6H9BrNS+ — CID 7023634

IUPAC2-(5-bromothiophen-2-yl)ethylazanium
SMILES[NH3+]CCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2/p+1
InChIKeyFXHZCFUULHJHBY-UHFFFAOYSA-O
MW207.12 g/mol
LogP1.29
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)ethylazanium

2-(5-bromothiophen-2-yl)ethylazanium (PubChem CID 7023634) has the molecular formula C6H9BrNS+ and a molecular weight of 207.12 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)ethylazanium.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)ethylazanium
PubChem CID7023634
Molecular FormulaC6H9BrNS+
Molecular Weight207.12 g/mol
Exact Mass205.96
IUPAC Name2-(5-bromothiophen-2-yl)ethylazanium
SMILES[NH3+]CCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2/p+1
InChIKeyFXHZCFUULHJHBY-UHFFFAOYSA-O
XLogP1.29
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)ethylazanium?
The IUPAC name of 2-(5-bromothiophen-2-yl)ethylazanium (CID 7023634) is 2-(5-bromothiophen-2-yl)ethylazanium.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)ethylazanium?
The canonical SMILES for 2-(5-bromothiophen-2-yl)ethylazanium is [NH3+]CCc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)ethylazanium?
The InChIKey is FXHZCFUULHJHBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2/p+1.
What are the key properties of 2-(5-bromothiophen-2-yl)ethylazanium?
2-(5-bromothiophen-2-yl)ethylazanium has a molecular weight of 207.12 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)ethylazanium is sourced from PubChem (CID 7023634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).