propylsulfanylcyclopentane

C8H16S — CID 534899

IUPACpropylsulfanylcyclopentane
SMILESCCCSC1CCCC1
InChIInChI=1S/C8H16S/c1-2-7-9-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyOJXDFADLRHATCY-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.07
Rot. Bonds3

About propylsulfanylcyclopentane

propylsulfanylcyclopentane (PubChem CID 534899) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is propylsulfanylcyclopentane.

Molecular Properties

Compound Namepropylsulfanylcyclopentane
PubChem CID534899
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Namepropylsulfanylcyclopentane
SMILESCCCSC1CCCC1
InChIInChI=1S/C8H16S/c1-2-7-9-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyOJXDFADLRHATCY-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propylsulfanylcyclopentane?
The IUPAC name of propylsulfanylcyclopentane (CID 534899) is propylsulfanylcyclopentane.
What is the SMILES notation for propylsulfanylcyclopentane?
The canonical SMILES for propylsulfanylcyclopentane is CCCSC1CCCC1.
What is the InChIKey of propylsulfanylcyclopentane?
The InChIKey is OJXDFADLRHATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-2-7-9-8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of propylsulfanylcyclopentane?
propylsulfanylcyclopentane has a molecular weight of 144.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfanylcyclopentane is sourced from PubChem (CID 534899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).