3-pyrazin-2-ylsulfanylpropan-1-ol

C7H10N2OS — CID 63380716

IUPAC3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESOCCCSc1cnccn1
InChIInChI=1S/C7H10N2OS/c10-4-1-5-11-7-6-8-2-3-9-7/h2-3,6,10H,1,4-5H2
InChIKeyFNVNNMJGQFAEJN-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.95
Rot. Bonds4

About 3-pyrazin-2-ylsulfanylpropan-1-ol

3-pyrazin-2-ylsulfanylpropan-1-ol (PubChem CID 63380716) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-pyrazin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-pyrazin-2-ylsulfanylpropan-1-ol
PubChem CID63380716
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESOCCCSc1cnccn1
InChIInChI=1S/C7H10N2OS/c10-4-1-5-11-7-6-8-2-3-9-7/h2-3,6,10H,1,4-5H2
InChIKeyFNVNNMJGQFAEJN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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 3-pyrazin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 3-pyrazin-2-ylsulfanylpropan-1-ol (CID 63380716) is 3-pyrazin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-pyrazin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-pyrazin-2-ylsulfanylpropan-1-ol is OCCCSc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylsulfanylpropan-1-ol?
The InChIKey is FNVNNMJGQFAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c10-4-1-5-11-7-6-8-2-3-9-7/h2-3,6,10H,1,4-5H2.
What are the key properties of 3-pyrazin-2-ylsulfanylpropan-1-ol?
3-pyrazin-2-ylsulfanylpropan-1-ol has a molecular weight of 170.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 63380716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).