but-1-yne;2-thiophen-2-ylthiophene

C12H12S2 — CID 174755152

IUPACbut-1-yne;2-thiophen-2-ylthiophene
SMILESC#CCC.c1csc(-c2cccs2)c1
InChIInChI=1S/C8H6S2.C4H6/c1-3-7(9-5-1)8-4-2-6-10-8;1-3-4-2/h1-6H;1H,4H2,2H3
InChIKeyABGUMPDPGQCJJC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.51
Rot. Bonds1

About but-1-yne;2-thiophen-2-ylthiophene

but-1-yne;2-thiophen-2-ylthiophene (PubChem CID 174755152) has the molecular formula C12H12S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is but-1-yne;2-thiophen-2-ylthiophene.

Molecular Properties

Compound Namebut-1-yne;2-thiophen-2-ylthiophene
PubChem CID174755152
Molecular FormulaC12H12S2
Molecular Weight220.36 g/mol
Exact Mass220.04
IUPAC Namebut-1-yne;2-thiophen-2-ylthiophene
SMILESC#CCC.c1csc(-c2cccs2)c1
InChIInChI=1S/C8H6S2.C4H6/c1-3-7(9-5-1)8-4-2-6-10-8;1-3-4-2/h1-6H;1H,4H2,2H3
InChIKeyABGUMPDPGQCJJC-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.51
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 but-1-yne;2-thiophen-2-ylthiophene?
The IUPAC name of but-1-yne;2-thiophen-2-ylthiophene (CID 174755152) is but-1-yne;2-thiophen-2-ylthiophene.
What is the SMILES notation for but-1-yne;2-thiophen-2-ylthiophene?
The canonical SMILES for but-1-yne;2-thiophen-2-ylthiophene is C#CCC.c1csc(-c2cccs2)c1.
What is the InChIKey of but-1-yne;2-thiophen-2-ylthiophene?
The InChIKey is ABGUMPDPGQCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S2.C4H6/c1-3-7(9-5-1)8-4-2-6-10-8;1-3-4-2/h1-6H;1H,4H2,2H3.
What are the key properties of but-1-yne;2-thiophen-2-ylthiophene?
but-1-yne;2-thiophen-2-ylthiophene has a molecular weight of 220.36 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;2-thiophen-2-ylthiophene is sourced from PubChem (CID 174755152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).