1-(4-bromothiophen-2-yl)ethylazanium

C6H9BrNS+ — CID 138973903

IUPAC1-(4-bromothiophen-2-yl)ethylazanium
SMILESCC([NH3+])c1cc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/p+1
InChIKeyAXVSYXUKBUXMHZ-UHFFFAOYSA-O
MW207.12 g/mol
LogP1.81
Rot. Bonds1

About 1-(4-bromothiophen-2-yl)ethylazanium

1-(4-bromothiophen-2-yl)ethylazanium (PubChem CID 138973903) has the molecular formula C6H9BrNS+ and a molecular weight of 207.12 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)ethylazanium.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)ethylazanium
PubChem CID138973903
Molecular FormulaC6H9BrNS+
Molecular Weight207.12 g/mol
Exact Mass205.96
IUPAC Name1-(4-bromothiophen-2-yl)ethylazanium
SMILESCC([NH3+])c1cc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/p+1
InChIKeyAXVSYXUKBUXMHZ-UHFFFAOYSA-O
XLogP1.81
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromothiophen-2-yl)ethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)ethylazanium?
The IUPAC name of 1-(4-bromothiophen-2-yl)ethylazanium (CID 138973903) is 1-(4-bromothiophen-2-yl)ethylazanium.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)ethylazanium?
The canonical SMILES for 1-(4-bromothiophen-2-yl)ethylazanium is CC([NH3+])c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)ethylazanium?
The InChIKey is AXVSYXUKBUXMHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/p+1.
What are the key properties of 1-(4-bromothiophen-2-yl)ethylazanium?
1-(4-bromothiophen-2-yl)ethylazanium has a molecular weight of 207.12 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)ethylazanium is sourced from PubChem (CID 138973903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).