2-chloro-6-(4-methylphenyl)sulfanylpyrazine

C11H9ClN2S — CID 43213384

IUPAC2-chloro-6-(4-methylphenyl)sulfanylpyrazine
SMILESCc1ccc(Sc2cncc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2S/c1-8-2-4-9(5-3-8)15-11-7-13-6-10(12)14-11/h2-7H,1H3
InChIKeyGECLGJBQCFYRAA-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.59
Rot. Bonds2

About 2-chloro-6-(4-methylphenyl)sulfanylpyrazine

2-chloro-6-(4-methylphenyl)sulfanylpyrazine (PubChem CID 43213384) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 2-chloro-6-(4-methylphenyl)sulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-6-(4-methylphenyl)sulfanylpyrazine
PubChem CID43213384
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name2-chloro-6-(4-methylphenyl)sulfanylpyrazine
SMILESCc1ccc(Sc2cncc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2S/c1-8-2-4-9(5-3-8)15-11-7-13-6-10(12)14-11/h2-7H,1H3
InChIKeyGECLGJBQCFYRAA-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylphenyl)sulfanylpyrazine?
The IUPAC name of 2-chloro-6-(4-methylphenyl)sulfanylpyrazine (CID 43213384) is 2-chloro-6-(4-methylphenyl)sulfanylpyrazine.
What is the SMILES notation for 2-chloro-6-(4-methylphenyl)sulfanylpyrazine?
The canonical SMILES for 2-chloro-6-(4-methylphenyl)sulfanylpyrazine is Cc1ccc(Sc2cncc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-methylphenyl)sulfanylpyrazine?
The InChIKey is GECLGJBQCFYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-8-2-4-9(5-3-8)15-11-7-13-6-10(12)14-11/h2-7H,1H3.
What are the key properties of 2-chloro-6-(4-methylphenyl)sulfanylpyrazine?
2-chloro-6-(4-methylphenyl)sulfanylpyrazine has a molecular weight of 236.73 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylphenyl)sulfanylpyrazine is sourced from PubChem (CID 43213384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).