2-(pyrazin-2-ylmethylsulfanyl)ethanol

C7H10N2OS — CID 43502622

IUPAC2-(pyrazin-2-ylmethylsulfanyl)ethanol
SMILESOCCSCc1cnccn1
InChIInChI=1S/C7H10N2OS/c10-3-4-11-6-7-5-8-1-2-9-7/h1-2,5,10H,3-4,6H2
InChIKeyHZBWVGDHWBNTRU-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.70
Rot. Bonds4

About 2-(pyrazin-2-ylmethylsulfanyl)ethanol

2-(pyrazin-2-ylmethylsulfanyl)ethanol (PubChem CID 43502622) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethylsulfanyl)ethanol
PubChem CID43502622
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(pyrazin-2-ylmethylsulfanyl)ethanol
SMILESOCCSCc1cnccn1
InChIInChI=1S/C7H10N2OS/c10-3-4-11-6-7-5-8-1-2-9-7/h1-2,5,10H,3-4,6H2
InChIKeyHZBWVGDHWBNTRU-UHFFFAOYSA-N
XLogP0.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.70
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 2-(pyrazin-2-ylmethylsulfanyl)ethanol?
The IUPAC name of 2-(pyrazin-2-ylmethylsulfanyl)ethanol (CID 43502622) is 2-(pyrazin-2-ylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(pyrazin-2-ylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(pyrazin-2-ylmethylsulfanyl)ethanol is OCCSCc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylmethylsulfanyl)ethanol?
The InChIKey is HZBWVGDHWBNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c10-3-4-11-6-7-5-8-1-2-9-7/h1-2,5,10H,3-4,6H2.
What are the key properties of 2-(pyrazin-2-ylmethylsulfanyl)ethanol?
2-(pyrazin-2-ylmethylsulfanyl)ethanol has a molecular weight of 170.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethylsulfanyl)ethanol is sourced from PubChem (CID 43502622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).