6-(2-chlorophenyl)sulfanylpyrazin-2-amine

C10H8ClN3S — CID 80646915

IUPAC6-(2-chlorophenyl)sulfanylpyrazin-2-amine
SMILESNc1cncc(Sc2ccccc2Cl)n1
InChIInChI=1S/C10H8ClN3S/c11-7-3-1-2-4-8(7)15-10-6-13-5-9(12)14-10/h1-6H,(H2,12,14)
InChIKeyGLXPRTUFNLNTCQ-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.86
Rot. Bonds2

About 6-(2-chlorophenyl)sulfanylpyrazin-2-amine

6-(2-chlorophenyl)sulfanylpyrazin-2-amine (PubChem CID 80646915) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanylpyrazin-2-amine
PubChem CID80646915
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name6-(2-chlorophenyl)sulfanylpyrazin-2-amine
SMILESNc1cncc(Sc2ccccc2Cl)n1
InChIInChI=1S/C10H8ClN3S/c11-7-3-1-2-4-8(7)15-10-6-13-5-9(12)14-10/h1-6H,(H2,12,14)
InChIKeyGLXPRTUFNLNTCQ-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(2-chlorophenyl)sulfanylpyrazin-2-amine (CID 80646915) is 6-(2-chlorophenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(2-chlorophenyl)sulfanylpyrazin-2-amine is Nc1cncc(Sc2ccccc2Cl)n1.
What is the InChIKey of 6-(2-chlorophenyl)sulfanylpyrazin-2-amine?
The InChIKey is GLXPRTUFNLNTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3S/c11-7-3-1-2-4-8(7)15-10-6-13-5-9(12)14-10/h1-6H,(H2,12,14).
What are the key properties of 6-(2-chlorophenyl)sulfanylpyrazin-2-amine?
6-(2-chlorophenyl)sulfanylpyrazin-2-amine has a molecular weight of 237.72 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80646915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).