4-(3-chloropyrazin-2-yl)thiomorpholine

C8H10ClN3S — CID 56828886

IUPAC4-(3-chloropyrazin-2-yl)thiomorpholine
SMILESClc1nccnc1N1CCSCC1
InChIInChI=1S/C8H10ClN3S/c9-7-8(11-2-1-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKeyAFHLXRFCAIOOME-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.68
Rot. Bonds1

About 4-(3-chloropyrazin-2-yl)thiomorpholine

4-(3-chloropyrazin-2-yl)thiomorpholine (PubChem CID 56828886) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 4-(3-chloropyrazin-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-chloropyrazin-2-yl)thiomorpholine
PubChem CID56828886
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name4-(3-chloropyrazin-2-yl)thiomorpholine
SMILESClc1nccnc1N1CCSCC1
InChIInChI=1S/C8H10ClN3S/c9-7-8(11-2-1-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKeyAFHLXRFCAIOOME-UHFFFAOYSA-N
XLogP1.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropyrazin-2-yl)thiomorpholine?
The IUPAC name of 4-(3-chloropyrazin-2-yl)thiomorpholine (CID 56828886) is 4-(3-chloropyrazin-2-yl)thiomorpholine.
What is the SMILES notation for 4-(3-chloropyrazin-2-yl)thiomorpholine?
The canonical SMILES for 4-(3-chloropyrazin-2-yl)thiomorpholine is Clc1nccnc1N1CCSCC1.
What is the InChIKey of 4-(3-chloropyrazin-2-yl)thiomorpholine?
The InChIKey is AFHLXRFCAIOOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c9-7-8(11-2-1-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2.
What are the key properties of 4-(3-chloropyrazin-2-yl)thiomorpholine?
4-(3-chloropyrazin-2-yl)thiomorpholine has a molecular weight of 215.71 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropyrazin-2-yl)thiomorpholine is sourced from PubChem (CID 56828886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).