3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine

C12H11ClN2OS — CID 104514236

IUPAC3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine
SMILESCSc1ccccc1OCc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2OS/c1-17-11-5-3-2-4-10(11)16-8-9-6-7-12(13)15-14-9/h2-7H,8H2,1H3
InChIKeyAYPNVOMENRLZMT-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.43
Rot. Bonds4

About 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine

3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine (PubChem CID 104514236) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine
PubChem CID104514236
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine
SMILESCSc1ccccc1OCc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2OS/c1-17-11-5-3-2-4-10(11)16-8-9-6-7-12(13)15-14-9/h2-7H,8H2,1H3
InChIKeyAYPNVOMENRLZMT-UHFFFAOYSA-N
XLogP3.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[(2-iodophenoxy)methyl]pyridazine
CID 104514189
5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
CID 63649178
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
[6-[(2-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231281
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
4-chloro-3-[(2-methylsulfanylphenoxy)methyl]aniline
CID 63649476
5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
CID 63649715
N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine
CID 55246729
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
CID 104514161
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478
3-chloro-6-[(4-chloro-3-fluorophenoxy)methyl]pyridazine
CID 104514281
3-chloro-6-[(4-methyl-2-nitrophenoxy)methyl]pyridazine
CID 104514208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine (CID 104514236) is 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine is CSc1ccccc1OCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine?
The InChIKey is AYPNVOMENRLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-17-11-5-3-2-4-10(11)16-8-9-6-7-12(13)15-14-9/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine?
3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine has a molecular weight of 266.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine is sourced from PubChem (CID 104514236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).