2-cyclopentylnaphthalene-1-thiol

C15H16S — CID 67281948

IUPAC2-cyclopentylnaphthalene-1-thiol
SMILESSc1c(C2CCCC2)ccc2ccccc12
InChIInChI=1S/C15H16S/c16-15-13-8-4-3-7-12(13)9-10-14(15)11-5-1-2-6-11/h3-4,7-11,16H,1-2,5-6H2
InChIKeyPTAQGHCKOIDFKL-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.79
Rot. Bonds1

About 2-cyclopentylnaphthalene-1-thiol

2-cyclopentylnaphthalene-1-thiol (PubChem CID 67281948) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-cyclopentylnaphthalene-1-thiol.

Molecular Properties

Compound Name2-cyclopentylnaphthalene-1-thiol
PubChem CID67281948
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2-cyclopentylnaphthalene-1-thiol
SMILESSc1c(C2CCCC2)ccc2ccccc12
InChIInChI=1S/C15H16S/c16-15-13-8-4-3-7-12(13)9-10-14(15)11-5-1-2-6-11/h3-4,7-11,16H,1-2,5-6H2
InChIKeyPTAQGHCKOIDFKL-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylnaphthalene-1-thiol?
The IUPAC name of 2-cyclopentylnaphthalene-1-thiol (CID 67281948) is 2-cyclopentylnaphthalene-1-thiol.
What is the SMILES notation for 2-cyclopentylnaphthalene-1-thiol?
The canonical SMILES for 2-cyclopentylnaphthalene-1-thiol is Sc1c(C2CCCC2)ccc2ccccc12.
What is the InChIKey of 2-cyclopentylnaphthalene-1-thiol?
The InChIKey is PTAQGHCKOIDFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c16-15-13-8-4-3-7-12(13)9-10-14(15)11-5-1-2-6-11/h3-4,7-11,16H,1-2,5-6H2.
What are the key properties of 2-cyclopentylnaphthalene-1-thiol?
2-cyclopentylnaphthalene-1-thiol has a molecular weight of 228.36 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylnaphthalene-1-thiol is sourced from PubChem (CID 67281948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).