3-chloro-6-propylsulfanylpyridazine

C7H9ClN2S — CID 22425690

IUPAC3-chloro-6-propylsulfanylpyridazine
SMILESCCCSc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN2S/c1-2-5-11-7-4-3-6(8)9-10-7/h3-4H,2,5H2,1H3
InChIKeyDTSDPBLLTFBLFC-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.63
Rot. Bonds3

About 3-chloro-6-propylsulfanylpyridazine

3-chloro-6-propylsulfanylpyridazine (PubChem CID 22425690) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 3-chloro-6-propylsulfanylpyridazine.

Molecular Properties

Compound Name3-chloro-6-propylsulfanylpyridazine
PubChem CID22425690
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name3-chloro-6-propylsulfanylpyridazine
SMILESCCCSc1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN2S/c1-2-5-11-7-4-3-6(8)9-10-7/h3-4H,2,5H2,1H3
InChIKeyDTSDPBLLTFBLFC-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-propylsulfanylpyridazine?
The IUPAC name of 3-chloro-6-propylsulfanylpyridazine (CID 22425690) is 3-chloro-6-propylsulfanylpyridazine.
What is the SMILES notation for 3-chloro-6-propylsulfanylpyridazine?
The canonical SMILES for 3-chloro-6-propylsulfanylpyridazine is CCCSc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-propylsulfanylpyridazine?
The InChIKey is DTSDPBLLTFBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c1-2-5-11-7-4-3-6(8)9-10-7/h3-4H,2,5H2,1H3.
What are the key properties of 3-chloro-6-propylsulfanylpyridazine?
3-chloro-6-propylsulfanylpyridazine has a molecular weight of 188.68 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-propylsulfanylpyridazine is sourced from PubChem (CID 22425690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).