1-pyrazin-2-ylsulfinylpropan-2-ol

C7H10N2O2S — CID 10797639

IUPAC1-pyrazin-2-ylsulfinylpropan-2-ol
SMILESCC(O)CS(=O)c1cnccn1
InChIInChI=1S/C7H10N2O2S/c1-6(10)5-12(11)7-4-8-2-3-9-7/h2-4,6,10H,5H2,1H3
InChIKeyIMRXKSUASPFOOZ-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.04
Rot. Bonds3

About 1-pyrazin-2-ylsulfinylpropan-2-ol

1-pyrazin-2-ylsulfinylpropan-2-ol (PubChem CID 10797639) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-pyrazin-2-ylsulfinylpropan-2-ol.

Molecular Properties

Compound Name1-pyrazin-2-ylsulfinylpropan-2-ol
PubChem CID10797639
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name1-pyrazin-2-ylsulfinylpropan-2-ol
SMILESCC(O)CS(=O)c1cnccn1
InChIInChI=1S/C7H10N2O2S/c1-6(10)5-12(11)7-4-8-2-3-9-7/h2-4,6,10H,5H2,1H3
InChIKeyIMRXKSUASPFOOZ-UHFFFAOYSA-N
XLogP-0.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylsulfinylpropan-2-ol?
The IUPAC name of 1-pyrazin-2-ylsulfinylpropan-2-ol (CID 10797639) is 1-pyrazin-2-ylsulfinylpropan-2-ol.
What is the SMILES notation for 1-pyrazin-2-ylsulfinylpropan-2-ol?
The canonical SMILES for 1-pyrazin-2-ylsulfinylpropan-2-ol is CC(O)CS(=O)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylsulfinylpropan-2-ol?
The InChIKey is IMRXKSUASPFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-6(10)5-12(11)7-4-8-2-3-9-7/h2-4,6,10H,5H2,1H3.
What are the key properties of 1-pyrazin-2-ylsulfinylpropan-2-ol?
1-pyrazin-2-ylsulfinylpropan-2-ol has a molecular weight of 186.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylsulfinylpropan-2-ol is sourced from PubChem (CID 10797639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).