3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine

C8H10N2S2 — CID 71414055

IUPAC3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1ccc(SC)nn1
InChIInChI=1S/C8H10N2S2/c1-3-6-12-8-5-4-7(11-2)9-10-8/h3-5H,1,6H2,2H3
InChIKeyPYFFGAPNOIDDKR-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.48
Rot. Bonds4

About 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine

3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine (PubChem CID 71414055) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine
PubChem CID71414055
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1ccc(SC)nn1
InChIInChI=1S/C8H10N2S2/c1-3-6-12-8-5-4-7(11-2)9-10-8/h3-5H,1,6H2,2H3
InChIKeyPYFFGAPNOIDDKR-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylsulfanyl-6-prop-2-enylsulfanylpyridazine?
The IUPAC name of 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine (CID 71414055) is 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine?
The canonical SMILES for 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine is C=CCSc1ccc(SC)nn1.
What is the InChIKey of 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine?
The InChIKey is PYFFGAPNOIDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-3-6-12-8-5-4-7(11-2)9-10-8/h3-5H,1,6H2,2H3.
What are the key properties of 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine?
3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine has a molecular weight of 198.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-prop-2-enylsulfanylpyridazine is sourced from PubChem (CID 71414055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).