2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene

C12H14S4 — CID 134986619

IUPAC2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene
SMILESCCCC(Sc1cccs1)Sc1cccs1
InChIInChI=1S/C12H14S4/c1-2-5-12(15-10-6-3-8-13-10)16-11-7-4-9-14-11/h3-4,6-9,12H,2,5H2,1H3
InChIKeyYBFHMGIOXSCADY-UHFFFAOYSA-N
MW286.51 g/mol
LogP5.82
Rot. Bonds6

About 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene

2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene (PubChem CID 134986619) has the molecular formula C12H14S4 and a molecular weight of 286.51 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene
PubChem CID134986619
Molecular FormulaC12H14S4
Molecular Weight286.51 g/mol
Exact Mass286.00
IUPAC Name2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene
SMILESCCCC(Sc1cccs1)Sc1cccs1
InChIInChI=1S/C12H14S4/c1-2-5-12(15-10-6-3-8-13-10)16-11-7-4-9-14-11/h3-4,6-9,12H,2,5H2,1H3
InChIKeyYBFHMGIOXSCADY-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.51
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene?
The IUPAC name of 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene (CID 134986619) is 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene.
What is the SMILES notation for 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene?
The canonical SMILES for 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene is CCCC(Sc1cccs1)Sc1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene?
The InChIKey is YBFHMGIOXSCADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S4/c1-2-5-12(15-10-6-3-8-13-10)16-11-7-4-9-14-11/h3-4,6-9,12H,2,5H2,1H3.
What are the key properties of 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene?
2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene has a molecular weight of 286.51 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylsulfanylbutylsulfanyl)thiophene is sourced from PubChem (CID 134986619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).