2-ethynyl-5-methoxythiophene

C7H6OS — CID 11629617

IUPAC2-ethynyl-5-methoxythiophene
SMILESC#Cc1ccc(OC)s1
InChIInChI=1S/C7H6OS/c1-3-6-4-5-7(8-2)9-6/h1,4-5H,2H3
InChIKeyNSKHFEWVOUCASH-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.74
Rot. Bonds1

About 2-ethynyl-5-methoxythiophene

2-ethynyl-5-methoxythiophene (PubChem CID 11629617) has the molecular formula C7H6OS and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-ethynyl-5-methoxythiophene.

Molecular Properties

Compound Name2-ethynyl-5-methoxythiophene
PubChem CID11629617
Molecular FormulaC7H6OS
Molecular Weight138.19 g/mol
Exact Mass138.01
IUPAC Name2-ethynyl-5-methoxythiophene
SMILESC#Cc1ccc(OC)s1
InChIInChI=1S/C7H6OS/c1-3-6-4-5-7(8-2)9-6/h1,4-5H,2H3
InChIKeyNSKHFEWVOUCASH-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-5-methoxythiophene?
The IUPAC name of 2-ethynyl-5-methoxythiophene (CID 11629617) is 2-ethynyl-5-methoxythiophene.
What is the SMILES notation for 2-ethynyl-5-methoxythiophene?
The canonical SMILES for 2-ethynyl-5-methoxythiophene is C#Cc1ccc(OC)s1.
What is the InChIKey of 2-ethynyl-5-methoxythiophene?
The InChIKey is NSKHFEWVOUCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6OS/c1-3-6-4-5-7(8-2)9-6/h1,4-5H,2H3.
What are the key properties of 2-ethynyl-5-methoxythiophene?
2-ethynyl-5-methoxythiophene has a molecular weight of 138.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-5-methoxythiophene is sourced from PubChem (CID 11629617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).