3,6-dichloro-4-prop-2-enylsulfanylpyridazine

C7H6Cl2N2S — CID 130507924

IUPAC3,6-dichloro-4-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H6Cl2N2S/c1-2-3-12-5-4-6(8)10-11-7(5)9/h2,4H,1,3H2
InChIKeyLFNPTMXBKYMHQT-UHFFFAOYSA-N
MW221.11 g/mol
LogP3.06
Rot. Bonds3

About 3,6-dichloro-4-prop-2-enylsulfanylpyridazine

3,6-dichloro-4-prop-2-enylsulfanylpyridazine (PubChem CID 130507924) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is 3,6-dichloro-4-prop-2-enylsulfanylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-prop-2-enylsulfanylpyridazine
PubChem CID130507924
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name3,6-dichloro-4-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H6Cl2N2S/c1-2-3-12-5-4-6(8)10-11-7(5)9/h2,4H,1,3H2
InChIKeyLFNPTMXBKYMHQT-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-6-(methylthio)pyridazine
CID 252475
3,6-dichloro-4-(methylsulfonyl)Pyridazine
CID 58045789
3,6-Dichloro-4-(methylthio)pyridazine
CID 81765999
3-Chloro-6-(propan-2-ylsulfanyl)pyridazine
CID 22425634
2-[(6-Chloro-3-pyridazinyl)thio]ethanol
CID 13052629
3-(Tert-butylsulfanyl)-6-chloropyridazine
CID 22425630
3-Chloro-6-(propylsulfanyl)pyridazine
CID 22425690
3-Chloro-6-[(prop-2-en-1-yl)sulfanyl]pyridazine
CID 21217667
3-Chloro-6-(4,4-difluorobut-3-enylsulfanyl)pyridazine
CID 21850460
3-Chloro-6-((trifluoromethyl)thio)pyridazine
CID 75406411
3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine
CID 85867677
2-(6-Chloro-pyridazin-3-yl)-isothiourea hydrochloride
CID 129760458

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-prop-2-enylsulfanylpyridazine?
The IUPAC name of 3,6-dichloro-4-prop-2-enylsulfanylpyridazine (CID 130507924) is 3,6-dichloro-4-prop-2-enylsulfanylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-prop-2-enylsulfanylpyridazine?
The canonical SMILES for 3,6-dichloro-4-prop-2-enylsulfanylpyridazine is C=CCSc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-prop-2-enylsulfanylpyridazine?
The InChIKey is LFNPTMXBKYMHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c1-2-3-12-5-4-6(8)10-11-7(5)9/h2,4H,1,3H2.
What are the key properties of 3,6-dichloro-4-prop-2-enylsulfanylpyridazine?
3,6-dichloro-4-prop-2-enylsulfanylpyridazine has a molecular weight of 221.11 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-prop-2-enylsulfanylpyridazine is sourced from PubChem (CID 130507924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).