6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine

C10H6Cl3N3S — CID 118238335

IUPAC6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
SMILESNc1nc(Cl)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl3N3S/c11-5-2-1-3-6(8(5)13)17-10-9(14)16-7(12)4-15-10/h1-4H,(H2,14,16)
InChIKeyDEJKKIJVRGULEV-UHFFFAOYSA-N
MW306.61 g/mol
LogP4.17
Rot. Bonds2

About 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine

6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine (PubChem CID 118238335) has the molecular formula C10H6Cl3N3S and a molecular weight of 306.61 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
PubChem CID118238335
Molecular FormulaC10H6Cl3N3S
Molecular Weight306.61 g/mol
Exact Mass304.93
IUPAC Name6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
SMILESNc1nc(Cl)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl3N3S/c11-5-2-1-3-6(8(5)13)17-10-9(14)16-7(12)4-15-10/h1-4H,(H2,14,16)
InChIKeyDEJKKIJVRGULEV-UHFFFAOYSA-N
XLogP4.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine (CID 118238335) is 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine is Nc1nc(Cl)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine?
The InChIKey is DEJKKIJVRGULEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3S/c11-5-2-1-3-6(8(5)13)17-10-9(14)16-7(12)4-15-10/h1-4H,(H2,14,16).
What are the key properties of 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine?
6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine has a molecular weight of 306.61 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 118238335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).