3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine

C15H15ClN2OS — CID 91330796

IUPAC3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine
SMILESCCSC1(c2ccccc2Oc2ccc(Cl)nn2)CC1
InChIInChI=1S/C15H15ClN2OS/c1-2-20-15(9-10-15)11-5-3-4-6-12(11)19-14-8-7-13(16)17-18-14/h3-8H,2,9-10H2,1H3
InChIKeyOKXBDUFGJQRAGH-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.66
Rot. Bonds5

About 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine

3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine (PubChem CID 91330796) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine
PubChem CID91330796
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine
SMILESCCSC1(c2ccccc2Oc2ccc(Cl)nn2)CC1
InChIInChI=1S/C15H15ClN2OS/c1-2-20-15(9-10-15)11-5-3-4-6-12(11)19-14-8-7-13(16)17-18-14/h3-8H,2,9-10H2,1H3
InChIKeyOKXBDUFGJQRAGH-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-chloro-6-(2-methyl-3-nitrophenoxy)pyridazine
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3-chloro-6-(4-propoxyphenoxy)pyridazine
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3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine?
The IUPAC name of 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine (CID 91330796) is 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine is CCSC1(c2ccccc2Oc2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine?
The InChIKey is OKXBDUFGJQRAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-2-20-15(9-10-15)11-5-3-4-6-12(11)19-14-8-7-13(16)17-18-14/h3-8H,2,9-10H2,1H3.
What are the key properties of 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine?
3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine has a molecular weight of 306.82 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine is sourced from PubChem (CID 91330796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).