trimethyl-(5-methylthiophen-2-yl)azanium

C8H14NS+ — CID 3056262

IUPACtrimethyl-(5-methylthiophen-2-yl)azanium
SMILESCc1ccc([N+](C)(C)C)s1
InChIInChI=1S/C8H14NS/c1-7-5-6-8(10-7)9(2,3)4/h5-6H,1-4H3/q+1
InChIKeyJQYMSJCBYFPWHY-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.25
Rot. Bonds1

About trimethyl-(5-methylthiophen-2-yl)azanium

trimethyl-(5-methylthiophen-2-yl)azanium (PubChem CID 3056262) has the molecular formula C8H14NS+ and a molecular weight of 156.27 g/mol. Its IUPAC name is trimethyl-(5-methylthiophen-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(5-methylthiophen-2-yl)azanium
PubChem CID3056262
Molecular FormulaC8H14NS+
Molecular Weight156.27 g/mol
Exact Mass156.08
IUPAC Nametrimethyl-(5-methylthiophen-2-yl)azanium
SMILESCc1ccc([N+](C)(C)C)s1
InChIInChI=1S/C8H14NS/c1-7-5-6-8(10-7)9(2,3)4/h5-6H,1-4H3/q+1
InChIKeyJQYMSJCBYFPWHY-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(5-methylthiophen-2-yl)azanium?
The IUPAC name of trimethyl-(5-methylthiophen-2-yl)azanium (CID 3056262) is trimethyl-(5-methylthiophen-2-yl)azanium.
What is the SMILES notation for trimethyl-(5-methylthiophen-2-yl)azanium?
The canonical SMILES for trimethyl-(5-methylthiophen-2-yl)azanium is Cc1ccc([N+](C)(C)C)s1.
What is the InChIKey of trimethyl-(5-methylthiophen-2-yl)azanium?
The InChIKey is JQYMSJCBYFPWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NS/c1-7-5-6-8(10-7)9(2,3)4/h5-6H,1-4H3/q+1.
What are the key properties of trimethyl-(5-methylthiophen-2-yl)azanium?
trimethyl-(5-methylthiophen-2-yl)azanium has a molecular weight of 156.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(5-methylthiophen-2-yl)azanium is sourced from PubChem (CID 3056262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).