3-prop-2-enylsulfanylpyridazine

C7H8N2S — CID 21217663

IUPAC3-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1cccnn1
InChIInChI=1S/C7H8N2S/c1-2-6-10-7-4-3-5-8-9-7/h2-5H,1,6H2
InChIKeyXWIIZIAEQKHXRI-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.75
Rot. Bonds3

About 3-prop-2-enylsulfanylpyridazine

3-prop-2-enylsulfanylpyridazine (PubChem CID 21217663) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylpyridazine.

Molecular Properties

Compound Name3-prop-2-enylsulfanylpyridazine
PubChem CID21217663
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name3-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1cccnn1
InChIInChI=1S/C7H8N2S/c1-2-6-10-7-4-3-5-8-9-7/h2-5H,1,6H2
InChIKeyXWIIZIAEQKHXRI-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanylpyridazine?
The IUPAC name of 3-prop-2-enylsulfanylpyridazine (CID 21217663) is 3-prop-2-enylsulfanylpyridazine.
What is the SMILES notation for 3-prop-2-enylsulfanylpyridazine?
The canonical SMILES for 3-prop-2-enylsulfanylpyridazine is C=CCSc1cccnn1.
What is the InChIKey of 3-prop-2-enylsulfanylpyridazine?
The InChIKey is XWIIZIAEQKHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-2-6-10-7-4-3-5-8-9-7/h2-5H,1,6H2.
What are the key properties of 3-prop-2-enylsulfanylpyridazine?
3-prop-2-enylsulfanylpyridazine has a molecular weight of 152.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylpyridazine is sourced from PubChem (CID 21217663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).