(5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane

C8H12ClN3OS — CID 167266751

IUPAC(5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=Nc1cnc(Cl)cn1
InChIInChI=1S/C8H12ClN3OS/c1-3-14(13,4-2)12-8-6-10-7(9)5-11-8/h5-6H,3-4H2,1-2H3
InChIKeyYHMXPRLRLFGZDJ-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.27
Rot. Bonds3

About (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane

(5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane (PubChem CID 167266751) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane
PubChem CID167266751
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name(5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=Nc1cnc(Cl)cn1
InChIInChI=1S/C8H12ClN3OS/c1-3-14(13,4-2)12-8-6-10-7(9)5-11-8/h5-6H,3-4H2,1-2H3
InChIKeyYHMXPRLRLFGZDJ-UHFFFAOYSA-N
XLogP2.27
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane?
The IUPAC name of (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane (CID 167266751) is (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane.
What is the SMILES notation for (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane?
The canonical SMILES for (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane is CCS(=O)(CC)=Nc1cnc(Cl)cn1.
What is the InChIKey of (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane?
The InChIKey is YHMXPRLRLFGZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-3-14(13,4-2)12-8-6-10-7(9)5-11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane?
(5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane has a molecular weight of 233.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)imino-diethyl-oxo-λ6-sulfane is sourced from PubChem (CID 167266751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).