1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone

C10H6Br2N2OS2 — CID 63407368

IUPAC1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1cc(Br)sc1Br
InChIInChI=1S/C10H6Br2N2OS2/c11-8-3-6(10(12)17-8)7(15)5-16-9-4-13-1-2-14-9/h1-4H,5H2
InChIKeyPWCUCSHLDBYILF-UHFFFAOYSA-N
MW394.11 g/mol
LogP4.04
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone

1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone (PubChem CID 63407368) has the molecular formula C10H6Br2N2OS2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
PubChem CID63407368
Molecular FormulaC10H6Br2N2OS2
Molecular Weight394.11 g/mol
Exact Mass391.83
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1cc(Br)sc1Br
InChIInChI=1S/C10H6Br2N2OS2/c11-8-3-6(10(12)17-8)7(15)5-16-9-4-13-1-2-14-9/h1-4H,5H2
InChIKeyPWCUCSHLDBYILF-UHFFFAOYSA-N
XLogP4.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone (CID 63407368) is 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone is O=C(CSc1cnccn1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
The InChIKey is PWCUCSHLDBYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2OS2/c11-8-3-6(10(12)17-8)7(15)5-16-9-4-13-1-2-14-9/h1-4H,5H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone has a molecular weight of 394.11 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone is sourced from PubChem (CID 63407368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).