3-(4-ethylphenyl)-6-methylsulfanylpyridazine

C13H14N2S — CID 7502801

IUPAC3-(4-ethylphenyl)-6-methylsulfanylpyridazine
SMILESCCc1ccc(-c2ccc(SC)nn2)cc1
InChIInChI=1S/C13H14N2S/c1-3-10-4-6-11(7-5-10)12-8-9-13(16-2)15-14-12/h4-9H,3H2,1-2H3
InChIKeyJCUKSKAZFUUDOK-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.43
Rot. Bonds3

About 3-(4-ethylphenyl)-6-methylsulfanylpyridazine

3-(4-ethylphenyl)-6-methylsulfanylpyridazine (PubChem CID 7502801) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-methylsulfanylpyridazine
PubChem CID7502801
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-(4-ethylphenyl)-6-methylsulfanylpyridazine
SMILESCCc1ccc(-c2ccc(SC)nn2)cc1
InChIInChI=1S/C13H14N2S/c1-3-10-4-6-11(7-5-10)12-8-9-13(16-2)15-14-12/h4-9H,3H2,1-2H3
InChIKeyJCUKSKAZFUUDOK-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 7206130
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
CID 43936932
6-(4-ethylphenyl)-N-methylpyridazin-3-amine
CID 62202685
3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
CID 7502818
3-[4-[(3E)-4-methylhexa-1,3-dien-2-yl]phenyl]-6-methylsulfanylpyridazine
CID 137472171
2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine
CID 82288033
5-[[6-(4-bromophenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 46329570
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936708
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-methylsulfanylpyridazine?
The IUPAC name of 3-(4-ethylphenyl)-6-methylsulfanylpyridazine (CID 7502801) is 3-(4-ethylphenyl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-(4-ethylphenyl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3-(4-ethylphenyl)-6-methylsulfanylpyridazine is CCc1ccc(-c2ccc(SC)nn2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-methylsulfanylpyridazine?
The InChIKey is JCUKSKAZFUUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-3-10-4-6-11(7-5-10)12-8-9-13(16-2)15-14-12/h4-9H,3H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-6-methylsulfanylpyridazine?
3-(4-ethylphenyl)-6-methylsulfanylpyridazine has a molecular weight of 230.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-methylsulfanylpyridazine is sourced from PubChem (CID 7502801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).