5-pyrazin-2-ylsulfanylpentan-1-ol

C9H14N2OS — CID 63380763

IUPAC5-pyrazin-2-ylsulfanylpentan-1-ol
SMILESOCCCCCSc1cnccn1
InChIInChI=1S/C9H14N2OS/c12-6-2-1-3-7-13-9-8-10-4-5-11-9/h4-5,8,12H,1-3,6-7H2
InChIKeyKRSZJBMIJXJCKD-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.73
Rot. Bonds6

About 5-pyrazin-2-ylsulfanylpentan-1-ol

5-pyrazin-2-ylsulfanylpentan-1-ol (PubChem CID 63380763) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-pyrazin-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name5-pyrazin-2-ylsulfanylpentan-1-ol
PubChem CID63380763
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-pyrazin-2-ylsulfanylpentan-1-ol
SMILESOCCCCCSc1cnccn1
InChIInChI=1S/C9H14N2OS/c12-6-2-1-3-7-13-9-8-10-4-5-11-9/h4-5,8,12H,1-3,6-7H2
InChIKeyKRSZJBMIJXJCKD-UHFFFAOYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-ylsulfanylpentan-1-ol?
The IUPAC name of 5-pyrazin-2-ylsulfanylpentan-1-ol (CID 63380763) is 5-pyrazin-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 5-pyrazin-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 5-pyrazin-2-ylsulfanylpentan-1-ol is OCCCCCSc1cnccn1.
What is the InChIKey of 5-pyrazin-2-ylsulfanylpentan-1-ol?
The InChIKey is KRSZJBMIJXJCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-6-2-1-3-7-13-9-8-10-4-5-11-9/h4-5,8,12H,1-3,6-7H2.
What are the key properties of 5-pyrazin-2-ylsulfanylpentan-1-ol?
5-pyrazin-2-ylsulfanylpentan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 63380763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).