3-chloro-6-ethylsulfanyl-4-methoxypyridazine

C7H9ClN2OS — CID 170557114

IUPAC3-chloro-6-ethylsulfanyl-4-methoxypyridazine
SMILESCCSc1cc(OC)c(Cl)nn1
InChIInChI=1S/C7H9ClN2OS/c1-3-12-6-4-5(11-2)7(8)10-9-6/h4H,3H2,1-2H3
InChIKeyYWDBIYSMJBIADH-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.25
Rot. Bonds3

About 3-chloro-6-ethylsulfanyl-4-methoxypyridazine

3-chloro-6-ethylsulfanyl-4-methoxypyridazine (PubChem CID 170557114) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 3-chloro-6-ethylsulfanyl-4-methoxypyridazine.

Molecular Properties

Compound Name3-chloro-6-ethylsulfanyl-4-methoxypyridazine
PubChem CID170557114
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name3-chloro-6-ethylsulfanyl-4-methoxypyridazine
SMILESCCSc1cc(OC)c(Cl)nn1
InChIInChI=1S/C7H9ClN2OS/c1-3-12-6-4-5(11-2)7(8)10-9-6/h4H,3H2,1-2H3
InChIKeyYWDBIYSMJBIADH-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethylsulfanyl-4-methoxypyridazine?
The IUPAC name of 3-chloro-6-ethylsulfanyl-4-methoxypyridazine (CID 170557114) is 3-chloro-6-ethylsulfanyl-4-methoxypyridazine.
What is the SMILES notation for 3-chloro-6-ethylsulfanyl-4-methoxypyridazine?
The canonical SMILES for 3-chloro-6-ethylsulfanyl-4-methoxypyridazine is CCSc1cc(OC)c(Cl)nn1.
What is the InChIKey of 3-chloro-6-ethylsulfanyl-4-methoxypyridazine?
The InChIKey is YWDBIYSMJBIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-3-12-6-4-5(11-2)7(8)10-9-6/h4H,3H2,1-2H3.
What are the key properties of 3-chloro-6-ethylsulfanyl-4-methoxypyridazine?
3-chloro-6-ethylsulfanyl-4-methoxypyridazine has a molecular weight of 204.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethylsulfanyl-4-methoxypyridazine is sourced from PubChem (CID 170557114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).