(4-thiophen-2-ylphenyl)methylazanium

C11H12NS+ — CID 6932046

IUPAC(4-thiophen-2-ylphenyl)methylazanium
SMILES[NH3+]Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2/p+1
InChIKeyYKNLMMDEWQZCLJ-UHFFFAOYSA-O
MW190.29 g/mol
LogP2.16
Rot. Bonds2

About (4-thiophen-2-ylphenyl)methylazanium

(4-thiophen-2-ylphenyl)methylazanium (PubChem CID 6932046) has the molecular formula C11H12NS+ and a molecular weight of 190.29 g/mol. Its IUPAC name is (4-thiophen-2-ylphenyl)methylazanium.

Molecular Properties

Compound Name(4-thiophen-2-ylphenyl)methylazanium
PubChem CID6932046
Molecular FormulaC11H12NS+
Molecular Weight190.29 g/mol
Exact Mass190.07
IUPAC Name(4-thiophen-2-ylphenyl)methylazanium
SMILES[NH3+]Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2/p+1
InChIKeyYKNLMMDEWQZCLJ-UHFFFAOYSA-O
XLogP2.16
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-thiophen-2-ylphenyl)methylazanium?
The IUPAC name of (4-thiophen-2-ylphenyl)methylazanium (CID 6932046) is (4-thiophen-2-ylphenyl)methylazanium.
What is the SMILES notation for (4-thiophen-2-ylphenyl)methylazanium?
The canonical SMILES for (4-thiophen-2-ylphenyl)methylazanium is [NH3+]Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of (4-thiophen-2-ylphenyl)methylazanium?
The InChIKey is YKNLMMDEWQZCLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2/p+1.
What are the key properties of (4-thiophen-2-ylphenyl)methylazanium?
(4-thiophen-2-ylphenyl)methylazanium has a molecular weight of 190.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-ylphenyl)methylazanium is sourced from PubChem (CID 6932046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).