1-pyrazin-2-ylsulfanylbutan-2-ol

C8H12N2OS — CID 63380761

IUPAC1-pyrazin-2-ylsulfanylbutan-2-ol
SMILESCCC(O)CSc1cnccn1
InChIInChI=1S/C8H12N2OS/c1-2-7(11)6-12-8-5-9-3-4-10-8/h3-5,7,11H,2,6H2,1H3
InChIKeyCJFKUEQQGYLJST-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.34
Rot. Bonds4

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

1-pyrazin-2-ylsulfanylbutan-2-ol (PubChem CID 63380761) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-pyrazin-2-ylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-pyrazin-2-ylsulfanylbutan-2-ol
PubChem CID63380761
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-pyrazin-2-ylsulfanylbutan-2-ol
SMILESCCC(O)CSc1cnccn1
InChIInChI=1S/C8H12N2OS/c1-2-7(11)6-12-8-5-9-3-4-10-8/h3-5,7,11H,2,6H2,1H3
InChIKeyCJFKUEQQGYLJST-UHFFFAOYSA-N
XLogP1.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylsulfanylbutan-2-ol?
The IUPAC name of 1-pyrazin-2-ylsulfanylbutan-2-ol (CID 63380761) is 1-pyrazin-2-ylsulfanylbutan-2-ol.
What is the SMILES notation for 1-pyrazin-2-ylsulfanylbutan-2-ol?
The canonical SMILES for 1-pyrazin-2-ylsulfanylbutan-2-ol is CCC(O)CSc1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylsulfanylbutan-2-ol?
The InChIKey is CJFKUEQQGYLJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-7(11)6-12-8-5-9-3-4-10-8/h3-5,7,11H,2,6H2,1H3.
What are the key properties of 1-pyrazin-2-ylsulfanylbutan-2-ol?
1-pyrazin-2-ylsulfanylbutan-2-ol has a molecular weight of 184.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylsulfanylbutan-2-ol is sourced from PubChem (CID 63380761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).