1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone

C12H8Cl2N2OS — CID 55249483

IUPAC1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2OS/c13-8-1-2-10(14)9(5-8)11(17)7-18-12-6-15-3-4-16-12/h1-6H,7H2
InChIKeyMFGGHHKOSBZFEL-UHFFFAOYSA-N
MW299.18 g/mol
LogP3.76
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone

1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone (PubChem CID 55249483) has the molecular formula C12H8Cl2N2OS and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
PubChem CID55249483
Molecular FormulaC12H8Cl2N2OS
Molecular Weight299.18 g/mol
Exact Mass297.97
IUPAC Name1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2OS/c13-8-1-2-10(14)9(5-8)11(17)7-18-12-6-15-3-4-16-12/h1-6H,7H2
InChIKeyMFGGHHKOSBZFEL-UHFFFAOYSA-N
XLogP3.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone (CID 55249483) is 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone is O=C(CSc1cnccn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone?
The InChIKey is MFGGHHKOSBZFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2OS/c13-8-1-2-10(14)9(5-8)11(17)7-18-12-6-15-3-4-16-12/h1-6H,7H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone?
1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone has a molecular weight of 299.18 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone is sourced from PubChem (CID 55249483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).