2-pyrazin-2-ylsulfanylethanol

C6H8N2OS — CID 43384941

IUPAC2-pyrazin-2-ylsulfanylethanol
SMILESOCCSc1cnccn1
InChIInChI=1S/C6H8N2OS/c9-3-4-10-6-5-7-1-2-8-6/h1-2,5,9H,3-4H2
InChIKeyDHTUSHWDTATNKL-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.56
Rot. Bonds3

About 2-pyrazin-2-ylsulfanylethanol

2-pyrazin-2-ylsulfanylethanol (PubChem CID 43384941) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanylethanol.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanylethanol
PubChem CID43384941
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-pyrazin-2-ylsulfanylethanol
SMILESOCCSc1cnccn1
InChIInChI=1S/C6H8N2OS/c9-3-4-10-6-5-7-1-2-8-6/h1-2,5,9H,3-4H2
InChIKeyDHTUSHWDTATNKL-UHFFFAOYSA-N
XLogP0.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanylethanol?
The IUPAC name of 2-pyrazin-2-ylsulfanylethanol (CID 43384941) is 2-pyrazin-2-ylsulfanylethanol.
What is the SMILES notation for 2-pyrazin-2-ylsulfanylethanol?
The canonical SMILES for 2-pyrazin-2-ylsulfanylethanol is OCCSc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylsulfanylethanol?
The InChIKey is DHTUSHWDTATNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c9-3-4-10-6-5-7-1-2-8-6/h1-2,5,9H,3-4H2.
What are the key properties of 2-pyrazin-2-ylsulfanylethanol?
2-pyrazin-2-ylsulfanylethanol has a molecular weight of 156.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanylethanol is sourced from PubChem (CID 43384941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).