1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol

C8H12N2O2S — CID 63929650

IUPAC1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCOCC(O)CSc1cnccn1
InChIInChI=1S/C8H12N2O2S/c1-12-5-7(11)6-13-8-4-9-2-3-10-8/h2-4,7,11H,5-6H2,1H3
InChIKeyVNNWBJSOLVKZPJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.58
Rot. Bonds5

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

1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol (PubChem CID 63929650) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol
PubChem CID63929650
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCOCC(O)CSc1cnccn1
InChIInChI=1S/C8H12N2O2S/c1-12-5-7(11)6-13-8-4-9-2-3-10-8/h2-4,7,11H,5-6H2,1H3
InChIKeyVNNWBJSOLVKZPJ-UHFFFAOYSA-N
XLogP0.58
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol (CID 63929650) is 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol is COCC(O)CSc1cnccn1.
What is the InChIKey of 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol?
The InChIKey is VNNWBJSOLVKZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-12-5-7(11)6-13-8-4-9-2-3-10-8/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol?
1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol has a molecular weight of 200.26 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-pyrazin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 63929650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).