4-pyrazin-2-ylsulfanylbutan-1-ol

C8H12N2OS — CID 63380721

IUPAC4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESOCCCCSc1cnccn1
InChIInChI=1S/C8H12N2OS/c11-5-1-2-6-12-8-7-9-3-4-10-8/h3-4,7,11H,1-2,5-6H2
InChIKeyNHPAKCDOOZAEBX-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.34
Rot. Bonds5

About 4-pyrazin-2-ylsulfanylbutan-1-ol

4-pyrazin-2-ylsulfanylbutan-1-ol (PubChem CID 63380721) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-pyrazin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name4-pyrazin-2-ylsulfanylbutan-1-ol
PubChem CID63380721
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESOCCCCSc1cnccn1
InChIInChI=1S/C8H12N2OS/c11-5-1-2-6-12-8-7-9-3-4-10-8/h3-4,7,11H,1-2,5-6H2
InChIKeyNHPAKCDOOZAEBX-UHFFFAOYSA-N
XLogP1.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.34
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 4-pyrazin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 4-pyrazin-2-ylsulfanylbutan-1-ol (CID 63380721) is 4-pyrazin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 4-pyrazin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 4-pyrazin-2-ylsulfanylbutan-1-ol is OCCCCSc1cnccn1.
What is the InChIKey of 4-pyrazin-2-ylsulfanylbutan-1-ol?
The InChIKey is NHPAKCDOOZAEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-5-1-2-6-12-8-7-9-3-4-10-8/h3-4,7,11H,1-2,5-6H2.
What are the key properties of 4-pyrazin-2-ylsulfanylbutan-1-ol?
4-pyrazin-2-ylsulfanylbutan-1-ol has a molecular weight of 184.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 63380721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).