3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine

C10H15ClN2S — CID 107747475

IUPAC3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine
SMILESCCC(C)CSCc1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN2S/c1-3-8(2)6-14-7-9-4-5-10(11)13-12-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyCWDMZCATLPKVDR-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.41
Rot. Bonds5

About 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine

3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine (PubChem CID 107747475) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine
PubChem CID107747475
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine
SMILESCCC(C)CSCc1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN2S/c1-3-8(2)6-14-7-9-4-5-10(11)13-12-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyCWDMZCATLPKVDR-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine?
The IUPAC name of 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine (CID 107747475) is 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine is CCC(C)CSCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine?
The InChIKey is CWDMZCATLPKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-3-8(2)6-14-7-9-4-5-10(11)13-12-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine?
3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine has a molecular weight of 230.76 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methylbutylsulfanylmethyl)pyridazine is sourced from PubChem (CID 107747475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).