2-thiophen-2-ylethylazanium

C6H10NS+ — CID 6931151

IUPAC2-thiophen-2-ylethylazanium
SMILES[NH3+]CCc1cccs1
InChIInChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2/p+1
InChIKeyHVLUYXIJZLDNIS-UHFFFAOYSA-O
MW128.22 g/mol
LogP0.53
Rot. Bonds2

About 2-thiophen-2-ylethylazanium

2-thiophen-2-ylethylazanium (PubChem CID 6931151) has the molecular formula C6H10NS+ and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-thiophen-2-ylethylazanium.

Molecular Properties

Compound Name2-thiophen-2-ylethylazanium
PubChem CID6931151
Molecular FormulaC6H10NS+
Molecular Weight128.22 g/mol
Exact Mass128.05
IUPAC Name2-thiophen-2-ylethylazanium
SMILES[NH3+]CCc1cccs1
InChIInChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2/p+1
InChIKeyHVLUYXIJZLDNIS-UHFFFAOYSA-O
XLogP0.53
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethylazanium?
The IUPAC name of 2-thiophen-2-ylethylazanium (CID 6931151) is 2-thiophen-2-ylethylazanium.
What is the SMILES notation for 2-thiophen-2-ylethylazanium?
The canonical SMILES for 2-thiophen-2-ylethylazanium is [NH3+]CCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethylazanium?
The InChIKey is HVLUYXIJZLDNIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2/p+1.
What are the key properties of 2-thiophen-2-ylethylazanium?
2-thiophen-2-ylethylazanium has a molecular weight of 128.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethylazanium is sourced from PubChem (CID 6931151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).