3,5-dichloro-1-[2-(methylthio)ethyl]-2(1H)-pyrazinone

HCID 18452802
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Basic information

Standard SMILES
CSCCn1cc(Cl)nc(Cl)c1=O
InChIKey
KAYRSWVESHHGCU-UHFFFAOYSA-N
Molecular formula
C7H8Cl2N2OS
Average molar mass
239.12 g/mol

Names & identifiers

Preferred name
3,5-dichloro-1-[2-(methylthio)ethyl]-2(1H)-pyrazinone
IUPAC
3,5-dichloro-1-(2-methylsulfanylethyl)pyrazin-2-one

Names & synonyms

SCHEMBL4871665KAYRSWVESHHGCU-UHFFFAOYSA-N3,5-dichloro-1-[2-(methylthio)ethyl]-2 (1H)-pyrazinone3,5-dichloro-1-[2-(methylthio)ethyl]-2(1H)-pyrazinone

Database identifiers

PubChem CID
18452802

Properties

Computed structural properties

XLogP
2
Topological polar surface area
58 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Related reactions

9 records
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Compound notes

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