1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol

C8H10N2O3S2 — CID 63380759

IUPAC1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol
SMILESO=S1(=O)CC(O)C(Sc2cnccn2)C1
InChIInChI=1S/C8H10N2O3S2/c11-6-4-15(12,13)5-7(6)14-8-3-9-1-2-10-8/h1-3,6-7,11H,4-5H2
InChIKeyQHTIBLRZNWMOJW-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.27
Rot. Bonds2

About 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol

1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol (PubChem CID 63380759) has the molecular formula C8H10N2O3S2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol
PubChem CID63380759
Molecular FormulaC8H10N2O3S2
Molecular Weight246.31 g/mol
Exact Mass246.01
IUPAC Name1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol
SMILESO=S1(=O)CC(O)C(Sc2cnccn2)C1
InChIInChI=1S/C8H10N2O3S2/c11-6-4-15(12,13)5-7(6)14-8-3-9-1-2-10-8/h1-3,6-7,11H,4-5H2
InChIKeyQHTIBLRZNWMOJW-UHFFFAOYSA-N
XLogP-0.27
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol (CID 63380759) is 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol is O=S1(=O)CC(O)C(Sc2cnccn2)C1.
What is the InChIKey of 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol?
The InChIKey is QHTIBLRZNWMOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S2/c11-6-4-15(12,13)5-7(6)14-8-3-9-1-2-10-8/h1-3,6-7,11H,4-5H2.
What are the key properties of 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol?
1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol has a molecular weight of 246.31 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-pyrazin-2-ylsulfanylthiolan-3-ol is sourced from PubChem (CID 63380759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).