methyl-[(2-thiophen-2-ylphenyl)methyl]azanium

C12H14NS+ — CID 7060564

IUPACmethyl-[(2-thiophen-2-ylphenyl)methyl]azanium
SMILESC[NH2+]Cc1ccccc1-c1cccs1
InChIInChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3/p+1
InChIKeyMRKJJEJYTBOUTH-UHFFFAOYSA-O
MW204.32 g/mol
LogP2.11
Rot. Bonds3

About methyl-[(2-thiophen-2-ylphenyl)methyl]azanium

methyl-[(2-thiophen-2-ylphenyl)methyl]azanium (PubChem CID 7060564) has the molecular formula C12H14NS+ and a molecular weight of 204.32 g/mol. Its IUPAC name is methyl-[(2-thiophen-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[(2-thiophen-2-ylphenyl)methyl]azanium
PubChem CID7060564
Molecular FormulaC12H14NS+
Molecular Weight204.32 g/mol
Exact Mass204.08
IUPAC Namemethyl-[(2-thiophen-2-ylphenyl)methyl]azanium
SMILESC[NH2+]Cc1ccccc1-c1cccs1
InChIInChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3/p+1
InChIKeyMRKJJEJYTBOUTH-UHFFFAOYSA-O
XLogP2.11
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl-[(2-thiophen-2-ylphenyl)methyl]azanium?
The IUPAC name of methyl-[(2-thiophen-2-ylphenyl)methyl]azanium (CID 7060564) is methyl-[(2-thiophen-2-ylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[(2-thiophen-2-ylphenyl)methyl]azanium?
The canonical SMILES for methyl-[(2-thiophen-2-ylphenyl)methyl]azanium is C[NH2+]Cc1ccccc1-c1cccs1.
What is the InChIKey of methyl-[(2-thiophen-2-ylphenyl)methyl]azanium?
The InChIKey is MRKJJEJYTBOUTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3/p+1.
What are the key properties of methyl-[(2-thiophen-2-ylphenyl)methyl]azanium?
methyl-[(2-thiophen-2-ylphenyl)methyl]azanium has a molecular weight of 204.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-thiophen-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 7060564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).