5-ethynyl-2-ethynylthiophene

C8H3S- — CID 102280365

IUPAC5-ethynyl-2-ethynylthiophene
SMILES[C-]#Cc1ccc(C#C)s1
InChIInChI=1S/C8H3S/c1-3-7-5-6-8(4-2)9-7/h1,5-6H/q-1
InChIKeyYDPIINIAJCSKOX-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.67
Rot. Bonds

About 5-ethynyl-2-ethynylthiophene

5-ethynyl-2-ethynylthiophene (PubChem CID 102280365) has the molecular formula C8H3S- and a molecular weight of 131.18 g/mol. Its IUPAC name is 5-ethynyl-2-ethynylthiophene.

Molecular Properties

Compound Name5-ethynyl-2-ethynylthiophene
PubChem CID102280365
Molecular FormulaC8H3S-
Molecular Weight131.18 g/mol
Exact Mass131.00
IUPAC Name5-ethynyl-2-ethynylthiophene
SMILES[C-]#Cc1ccc(C#C)s1
InChIInChI=1S/C8H3S/c1-3-7-5-6-8(4-2)9-7/h1,5-6H/q-1
InChIKeyYDPIINIAJCSKOX-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-ethynylthiophene?
The IUPAC name of 5-ethynyl-2-ethynylthiophene (CID 102280365) is 5-ethynyl-2-ethynylthiophene.
What is the SMILES notation for 5-ethynyl-2-ethynylthiophene?
The canonical SMILES for 5-ethynyl-2-ethynylthiophene is [C-]#Cc1ccc(C#C)s1.
What is the InChIKey of 5-ethynyl-2-ethynylthiophene?
The InChIKey is YDPIINIAJCSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3S/c1-3-7-5-6-8(4-2)9-7/h1,5-6H/q-1.
What are the key properties of 5-ethynyl-2-ethynylthiophene?
5-ethynyl-2-ethynylthiophene has a molecular weight of 131.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-ethynylthiophene is sourced from PubChem (CID 102280365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).