2-(2-pyrazin-2-ylsulfanylethoxy)ethanol

C8H12N2O2S — CID 63380720

IUPAC2-(2-pyrazin-2-ylsulfanylethoxy)ethanol
SMILESOCCOCCSc1cnccn1
InChIInChI=1S/C8H12N2O2S/c11-3-4-12-5-6-13-8-7-9-1-2-10-8/h1-2,7,11H,3-6H2
InChIKeySJPZKANWBFBXJT-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.58
Rot. Bonds6

About 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol

2-(2-pyrazin-2-ylsulfanylethoxy)ethanol (PubChem CID 63380720) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol.

Molecular Properties

Compound Name2-(2-pyrazin-2-ylsulfanylethoxy)ethanol
PubChem CID63380720
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(2-pyrazin-2-ylsulfanylethoxy)ethanol
SMILESOCCOCCSc1cnccn1
InChIInChI=1S/C8H12N2O2S/c11-3-4-12-5-6-13-8-7-9-1-2-10-8/h1-2,7,11H,3-6H2
InChIKeySJPZKANWBFBXJT-UHFFFAOYSA-N
XLogP0.58
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol?
The IUPAC name of 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol (CID 63380720) is 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol.
What is the SMILES notation for 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol?
The canonical SMILES for 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol is OCCOCCSc1cnccn1.
What is the InChIKey of 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol?
The InChIKey is SJPZKANWBFBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-3-4-12-5-6-13-8-7-9-1-2-10-8/h1-2,7,11H,3-6H2.
What are the key properties of 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol?
2-(2-pyrazin-2-ylsulfanylethoxy)ethanol has a molecular weight of 200.26 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazin-2-ylsulfanylethoxy)ethanol is sourced from PubChem (CID 63380720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).