3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine

C12H17ClN2S — CID 104514371

IUPAC3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
SMILESCC1CCCC(SCc2ccc(Cl)nn2)C1
InChIInChI=1S/C12H17ClN2S/c1-9-3-2-4-11(7-9)16-8-10-5-6-12(13)15-14-10/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyGOFXCSSGCOQDIB-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.94
Rot. Bonds3

About 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine

3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine (PubChem CID 104514371) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
PubChem CID104514371
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
SMILESCC1CCCC(SCc2ccc(Cl)nn2)C1
InChIInChI=1S/C12H17ClN2S/c1-9-3-2-4-11(7-9)16-8-10-5-6-12(13)15-14-10/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyGOFXCSSGCOQDIB-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine?
The IUPAC name of 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine (CID 104514371) is 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine is CC1CCCC(SCc2ccc(Cl)nn2)C1.
What is the InChIKey of 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine?
The InChIKey is GOFXCSSGCOQDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-9-3-2-4-11(7-9)16-8-10-5-6-12(13)15-14-10/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine?
3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine has a molecular weight of 256.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine is sourced from PubChem (CID 104514371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).