6-pyridin-2-yloxyhexane-1-thiol

C11H17NOS — CID 91150264

IUPAC6-pyridin-2-yloxyhexane-1-thiol
SMILESSCCCCCCOc1ccccn1
InChIInChI=1S/C11H17NOS/c14-10-6-2-1-5-9-13-11-7-3-4-8-12-11/h3-4,7-8,14H,1-2,5-6,9-10H2
InChIKeyDVOWSPCVHXNYFO-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.95
Rot. Bonds7

About 6-pyridin-2-yloxyhexane-1-thiol

6-pyridin-2-yloxyhexane-1-thiol (PubChem CID 91150264) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-pyridin-2-yloxyhexane-1-thiol.

Molecular Properties

Compound Name6-pyridin-2-yloxyhexane-1-thiol
PubChem CID91150264
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name6-pyridin-2-yloxyhexane-1-thiol
SMILESSCCCCCCOc1ccccn1
InChIInChI=1S/C11H17NOS/c14-10-6-2-1-5-9-13-11-7-3-4-8-12-11/h3-4,7-8,14H,1-2,5-6,9-10H2
InChIKeyDVOWSPCVHXNYFO-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yloxyhexane-1-thiol?
The IUPAC name of 6-pyridin-2-yloxyhexane-1-thiol (CID 91150264) is 6-pyridin-2-yloxyhexane-1-thiol.
What is the SMILES notation for 6-pyridin-2-yloxyhexane-1-thiol?
The canonical SMILES for 6-pyridin-2-yloxyhexane-1-thiol is SCCCCCCOc1ccccn1.
What is the InChIKey of 6-pyridin-2-yloxyhexane-1-thiol?
The InChIKey is DVOWSPCVHXNYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c14-10-6-2-1-5-9-13-11-7-3-4-8-12-11/h3-4,7-8,14H,1-2,5-6,9-10H2.
What are the key properties of 6-pyridin-2-yloxyhexane-1-thiol?
6-pyridin-2-yloxyhexane-1-thiol has a molecular weight of 211.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yloxyhexane-1-thiol is sourced from PubChem (CID 91150264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).