3-benzylsulfanyl-6-methoxypyridazine

C12H12N2OS — CID 86259421

IUPAC3-benzylsulfanyl-6-methoxypyridazine
SMILESCOc1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C12H12N2OS/c1-15-11-7-8-12(14-13-11)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyRXXHSKZRIHJDFP-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.78
Rot. Bonds4

About 3-benzylsulfanyl-6-methoxypyridazine

3-benzylsulfanyl-6-methoxypyridazine (PubChem CID 86259421) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-benzylsulfanyl-6-methoxypyridazine.

Molecular Properties

Compound Name3-benzylsulfanyl-6-methoxypyridazine
PubChem CID86259421
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name3-benzylsulfanyl-6-methoxypyridazine
SMILESCOc1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C12H12N2OS/c1-15-11-7-8-12(14-13-11)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyRXXHSKZRIHJDFP-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-benzylsulfanylpyridazin-3-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 88817605
4-benzylsulfanyl-3,6-dimethoxypyridazine;4-iodo-3,6-dimethoxypyridazine
CID 157050390
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 43936923
3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
CID 121031375
2-benzylsulfanyl-6-methoxy-3-nitropyridine
CID 135308487
3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 7206088
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692
4-benzylsulfanyltriazol-1-amine
CID 21423107
4-benzylsulfanyl-1-methylimidazole
CID 19810957
3-(2-methoxyphenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936926
(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
CID 102546182
benzylsulfanyl(trimethoxy)silane
CID 87127479

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-6-methoxypyridazine?
The IUPAC name of 3-benzylsulfanyl-6-methoxypyridazine (CID 86259421) is 3-benzylsulfanyl-6-methoxypyridazine.
What is the SMILES notation for 3-benzylsulfanyl-6-methoxypyridazine?
The canonical SMILES for 3-benzylsulfanyl-6-methoxypyridazine is COc1ccc(SCc2ccccc2)nn1.
What is the InChIKey of 3-benzylsulfanyl-6-methoxypyridazine?
The InChIKey is RXXHSKZRIHJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-15-11-7-8-12(14-13-11)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 3-benzylsulfanyl-6-methoxypyridazine?
3-benzylsulfanyl-6-methoxypyridazine has a molecular weight of 232.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-6-methoxypyridazine is sourced from PubChem (CID 86259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).