2-cyclopentylsulfanylthiophene

C9H12S2 — CID 575655

IUPAC2-cyclopentylsulfanylthiophene
SMILESc1csc(SC2CCCC2)c1
InChIInChI=1S/C9H12S2/c1-2-5-8(4-1)11-9-6-3-7-10-9/h3,6-8H,1-2,4-5H2
InChIKeyCHEHORWFRFOFAM-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.78
Rot. Bonds2

About 2-cyclopentylsulfanylthiophene

2-cyclopentylsulfanylthiophene (PubChem CID 575655) has the molecular formula C9H12S2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-cyclopentylsulfanylthiophene.

Molecular Properties

Compound Name2-cyclopentylsulfanylthiophene
PubChem CID575655
Molecular FormulaC9H12S2
Molecular Weight184.33 g/mol
Exact Mass184.04
IUPAC Name2-cyclopentylsulfanylthiophene
SMILESc1csc(SC2CCCC2)c1
InChIInChI=1S/C9H12S2/c1-2-5-8(4-1)11-9-6-3-7-10-9/h3,6-8H,1-2,4-5H2
InChIKeyCHEHORWFRFOFAM-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanylthiophene?
The IUPAC name of 2-cyclopentylsulfanylthiophene (CID 575655) is 2-cyclopentylsulfanylthiophene.
What is the SMILES notation for 2-cyclopentylsulfanylthiophene?
The canonical SMILES for 2-cyclopentylsulfanylthiophene is c1csc(SC2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfanylthiophene?
The InChIKey is CHEHORWFRFOFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S2/c1-2-5-8(4-1)11-9-6-3-7-10-9/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-cyclopentylsulfanylthiophene?
2-cyclopentylsulfanylthiophene has a molecular weight of 184.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanylthiophene is sourced from PubChem (CID 575655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).