2-chloro-3-pyrazin-2-ylsulfanylpyrazine

C8H5ClN4S — CID 63380670

IUPAC2-chloro-3-pyrazin-2-ylsulfanylpyrazine
SMILESClc1nccnc1Sc1cnccn1
InChIInChI=1S/C8H5ClN4S/c9-7-8(13-4-3-12-7)14-6-5-10-1-2-11-6/h1-5H
InChIKeyPKHHCKJUZPYDHR-UHFFFAOYSA-N
MW224.68 g/mol
LogP2.07
Rot. Bonds2

About 2-chloro-3-pyrazin-2-ylsulfanylpyrazine

2-chloro-3-pyrazin-2-ylsulfanylpyrazine (PubChem CID 63380670) has the molecular formula C8H5ClN4S and a molecular weight of 224.68 g/mol. Its IUPAC name is 2-chloro-3-pyrazin-2-ylsulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-3-pyrazin-2-ylsulfanylpyrazine
PubChem CID63380670
Molecular FormulaC8H5ClN4S
Molecular Weight224.68 g/mol
Exact Mass223.99
IUPAC Name2-chloro-3-pyrazin-2-ylsulfanylpyrazine
SMILESClc1nccnc1Sc1cnccn1
InChIInChI=1S/C8H5ClN4S/c9-7-8(13-4-3-12-7)14-6-5-10-1-2-11-6/h1-5H
InChIKeyPKHHCKJUZPYDHR-UHFFFAOYSA-N
XLogP2.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.68
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-pyrazin-2-ylsulfanylpyrazine?
The IUPAC name of 2-chloro-3-pyrazin-2-ylsulfanylpyrazine (CID 63380670) is 2-chloro-3-pyrazin-2-ylsulfanylpyrazine.
What is the SMILES notation for 2-chloro-3-pyrazin-2-ylsulfanylpyrazine?
The canonical SMILES for 2-chloro-3-pyrazin-2-ylsulfanylpyrazine is Clc1nccnc1Sc1cnccn1.
What is the InChIKey of 2-chloro-3-pyrazin-2-ylsulfanylpyrazine?
The InChIKey is PKHHCKJUZPYDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4S/c9-7-8(13-4-3-12-7)14-6-5-10-1-2-11-6/h1-5H.
What are the key properties of 2-chloro-3-pyrazin-2-ylsulfanylpyrazine?
2-chloro-3-pyrazin-2-ylsulfanylpyrazine has a molecular weight of 224.68 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-pyrazin-2-ylsulfanylpyrazine is sourced from PubChem (CID 63380670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).