2-(4-thiophen-2-ylbut-2-ynyl)thiophene

C12H10S2 — CID 102075129

IUPAC2-(4-thiophen-2-ylbut-2-ynyl)thiophene
SMILESC(#CCc1cccs1)Cc1cccs1
InChIInChI=1S/C12H10S2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h3-4,7-10H,5-6H2
InChIKeySYCAWAZSYMRDHW-UHFFFAOYSA-N
MW218.35 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-thiophen-2-ylbut-2-ynyl)thiophene

2-(4-thiophen-2-ylbut-2-ynyl)thiophene (PubChem CID 102075129) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 2-(4-thiophen-2-ylbut-2-ynyl)thiophene.

Molecular Properties

Compound Name2-(4-thiophen-2-ylbut-2-ynyl)thiophene
PubChem CID102075129
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Name2-(4-thiophen-2-ylbut-2-ynyl)thiophene
SMILESC(#CCc1cccs1)Cc1cccs1
InChIInChI=1S/C12H10S2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h3-4,7-10H,5-6H2
InChIKeySYCAWAZSYMRDHW-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-thiophen-2-ylbut-2-ynoate
CID 64534779
pyridine;2-thiophen-2-ylacetonitrile
CID 175390831
2-(bromomethyl)thiophene
CID 11829978
4-thiophen-2-ylbut-1-yn-1-ol
CID 67361922
thiophen-2-ylmethylphosphane;hydroiodide
CID 174619498
CID 59269201
CID 59269201
potassium trifluoro(2-thiophen-2-ylethyl)boranuide
CID 63774872
2-(methoxymethyl)thiophene
CID 10240820
2-(methylsulfanylmethyl)thiophene
CID 12872111
2-(benzenesulfinyl)-1-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]ethanone
CID 154521267
lithium 2-prop-2-enylthiophene
CID 88793695
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683

Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-ylbut-2-ynyl)thiophene?
The IUPAC name of 2-(4-thiophen-2-ylbut-2-ynyl)thiophene (CID 102075129) is 2-(4-thiophen-2-ylbut-2-ynyl)thiophene.
What is the SMILES notation for 2-(4-thiophen-2-ylbut-2-ynyl)thiophene?
The canonical SMILES for 2-(4-thiophen-2-ylbut-2-ynyl)thiophene is C(#CCc1cccs1)Cc1cccs1.
What is the InChIKey of 2-(4-thiophen-2-ylbut-2-ynyl)thiophene?
The InChIKey is SYCAWAZSYMRDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h3-4,7-10H,5-6H2.
What are the key properties of 2-(4-thiophen-2-ylbut-2-ynyl)thiophene?
2-(4-thiophen-2-ylbut-2-ynyl)thiophene has a molecular weight of 218.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-ylbut-2-ynyl)thiophene is sourced from PubChem (CID 102075129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).