3-(3-chloropropylsulfanyl)pyridazine

C7H9ClN2S — CID 66126128

IUPAC3-(3-chloropropylsulfanyl)pyridazine
SMILESClCCCSc1cccnn1
InChIInChI=1S/C7H9ClN2S/c8-4-2-6-11-7-3-1-5-9-10-7/h1,3,5H,2,4,6H2
InChIKeyHBQCBEKGFUFMLT-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.20
Rot. Bonds4

About 3-(3-chloropropylsulfanyl)pyridazine

3-(3-chloropropylsulfanyl)pyridazine (PubChem CID 66126128) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 3-(3-chloropropylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(3-chloropropylsulfanyl)pyridazine
PubChem CID66126128
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name3-(3-chloropropylsulfanyl)pyridazine
SMILESClCCCSc1cccnn1
InChIInChI=1S/C7H9ClN2S/c8-4-2-6-11-7-3-1-5-9-10-7/h1,3,5H,2,4,6H2
InChIKeyHBQCBEKGFUFMLT-UHFFFAOYSA-N
XLogP2.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropylsulfanyl)pyridazine?
The IUPAC name of 3-(3-chloropropylsulfanyl)pyridazine (CID 66126128) is 3-(3-chloropropylsulfanyl)pyridazine.
What is the SMILES notation for 3-(3-chloropropylsulfanyl)pyridazine?
The canonical SMILES for 3-(3-chloropropylsulfanyl)pyridazine is ClCCCSc1cccnn1.
What is the InChIKey of 3-(3-chloropropylsulfanyl)pyridazine?
The InChIKey is HBQCBEKGFUFMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-4-2-6-11-7-3-1-5-9-10-7/h1,3,5H,2,4,6H2.
What are the key properties of 3-(3-chloropropylsulfanyl)pyridazine?
3-(3-chloropropylsulfanyl)pyridazine has a molecular weight of 188.68 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropylsulfanyl)pyridazine is sourced from PubChem (CID 66126128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).