3-(1-thiophen-3-ylcyclohexyl)thiophene

C14H16S2 — CID 142418465

IUPAC3-(1-thiophen-3-ylcyclohexyl)thiophene
SMILESc1cc(C2(c3ccsc3)CCCCC2)cs1
InChIInChI=1S/C14H16S2/c1-2-6-14(7-3-1,12-4-8-15-10-12)13-5-9-16-11-13/h4-5,8-11H,1-3,6-7H2
InChIKeyWPUOLWDQXPGBQI-UHFFFAOYSA-N
MW248.42 g/mol
LogP5.06
Rot. Bonds2

About 3-(1-thiophen-3-ylcyclohexyl)thiophene

3-(1-thiophen-3-ylcyclohexyl)thiophene (PubChem CID 142418465) has the molecular formula C14H16S2 and a molecular weight of 248.42 g/mol. Its IUPAC name is 3-(1-thiophen-3-ylcyclohexyl)thiophene.

Molecular Properties

Compound Name3-(1-thiophen-3-ylcyclohexyl)thiophene
PubChem CID142418465
Molecular FormulaC14H16S2
Molecular Weight248.42 g/mol
Exact Mass248.07
IUPAC Name3-(1-thiophen-3-ylcyclohexyl)thiophene
SMILESc1cc(C2(c3ccsc3)CCCCC2)cs1
InChIInChI=1S/C14H16S2/c1-2-6-14(7-3-1,12-4-8-15-10-12)13-5-9-16-11-13/h4-5,8-11H,1-3,6-7H2
InChIKeyWPUOLWDQXPGBQI-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-3-ylcyclohexyl)thiophene?
The IUPAC name of 3-(1-thiophen-3-ylcyclohexyl)thiophene (CID 142418465) is 3-(1-thiophen-3-ylcyclohexyl)thiophene.
What is the SMILES notation for 3-(1-thiophen-3-ylcyclohexyl)thiophene?
The canonical SMILES for 3-(1-thiophen-3-ylcyclohexyl)thiophene is c1cc(C2(c3ccsc3)CCCCC2)cs1.
What is the InChIKey of 3-(1-thiophen-3-ylcyclohexyl)thiophene?
The InChIKey is WPUOLWDQXPGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S2/c1-2-6-14(7-3-1,12-4-8-15-10-12)13-5-9-16-11-13/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 3-(1-thiophen-3-ylcyclohexyl)thiophene?
3-(1-thiophen-3-ylcyclohexyl)thiophene has a molecular weight of 248.42 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-3-ylcyclohexyl)thiophene is sourced from PubChem (CID 142418465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).