3-(3-chloropropylsulfanylmethyl)pyridazine

C8H11ClN2S — CID 20505173

IUPAC3-(3-chloropropylsulfanylmethyl)pyridazine
SMILESClCCCSCc1cccnn1
InChIInChI=1S/C8H11ClN2S/c9-4-2-6-12-7-8-3-1-5-10-11-8/h1,3,5H,2,4,6-7H2
InChIKeyXDQFQVHEHFURRR-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.34
Rot. Bonds5

About 3-(3-chloropropylsulfanylmethyl)pyridazine

3-(3-chloropropylsulfanylmethyl)pyridazine (PubChem CID 20505173) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 3-(3-chloropropylsulfanylmethyl)pyridazine.

Molecular Properties

Compound Name3-(3-chloropropylsulfanylmethyl)pyridazine
PubChem CID20505173
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name3-(3-chloropropylsulfanylmethyl)pyridazine
SMILESClCCCSCc1cccnn1
InChIInChI=1S/C8H11ClN2S/c9-4-2-6-12-7-8-3-1-5-10-11-8/h1,3,5H,2,4,6-7H2
InChIKeyXDQFQVHEHFURRR-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.34
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-chloropropylsulfanylmethyl)pyridazine?
The IUPAC name of 3-(3-chloropropylsulfanylmethyl)pyridazine (CID 20505173) is 3-(3-chloropropylsulfanylmethyl)pyridazine.
What is the SMILES notation for 3-(3-chloropropylsulfanylmethyl)pyridazine?
The canonical SMILES for 3-(3-chloropropylsulfanylmethyl)pyridazine is ClCCCSCc1cccnn1.
What is the InChIKey of 3-(3-chloropropylsulfanylmethyl)pyridazine?
The InChIKey is XDQFQVHEHFURRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-4-2-6-12-7-8-3-1-5-10-11-8/h1,3,5H,2,4,6-7H2.
What are the key properties of 3-(3-chloropropylsulfanylmethyl)pyridazine?
3-(3-chloropropylsulfanylmethyl)pyridazine has a molecular weight of 202.71 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropylsulfanylmethyl)pyridazine is sourced from PubChem (CID 20505173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).