3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one

C11H7Cl3N2OS — CID 139509543

IUPAC3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one
SMILESCn1c(Sc2cccc(Cl)c2Cl)cnc(Cl)c1=O
InChIInChI=1S/C11H7Cl3N2OS/c1-16-8(5-15-10(14)11(16)17)18-7-4-2-3-6(12)9(7)13/h2-5H,1H3
InChIKeyMEHBJWWLRIFSBV-UHFFFAOYSA-N
MW321.62 g/mol
LogP3.89
Rot. Bonds2

About 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one

3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one (PubChem CID 139509543) has the molecular formula C11H7Cl3N2OS and a molecular weight of 321.62 g/mol. Its IUPAC name is 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one
PubChem CID139509543
Molecular FormulaC11H7Cl3N2OS
Molecular Weight321.62 g/mol
Exact Mass319.93
IUPAC Name3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one
SMILESCn1c(Sc2cccc(Cl)c2Cl)cnc(Cl)c1=O
InChIInChI=1S/C11H7Cl3N2OS/c1-16-8(5-15-10(14)11(16)17)18-7-4-2-3-6(12)9(7)13/h2-5H,1H3
InChIKeyMEHBJWWLRIFSBV-UHFFFAOYSA-N
XLogP3.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one
CID 139509539
6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 166465088
6-amino-2-[4-(2-aminoethyl)piperazin-1-yl]-5-(2,3-dichlorophenyl)sulfanyl-3-methylpyrimidin-4-one
CID 166465184
6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
CID 118238335
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
N-[[2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63808296
3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one
CID 139509479
2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
CID 12742097
5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one
CID 107309342
3-[2-(2-aminopropyl)-3-chlorophenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63817987
2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945017
3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
CID 161252551

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one?
The IUPAC name of 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one (CID 139509543) is 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one.
What is the SMILES notation for 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one?
The canonical SMILES for 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one is Cn1c(Sc2cccc(Cl)c2Cl)cnc(Cl)c1=O.
What is the InChIKey of 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one?
The InChIKey is MEHBJWWLRIFSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2OS/c1-16-8(5-15-10(14)11(16)17)18-7-4-2-3-6(12)9(7)13/h2-5H,1H3.
What are the key properties of 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one?
3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one has a molecular weight of 321.62 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one is sourced from PubChem (CID 139509543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).