3-chloro-6-prop-2-enylsulfanylpyridazine

C7H7ClN2S — CID 21217667

IUPAC3-chloro-6-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1ccc(Cl)nn1
InChIInChI=1S/C7H7ClN2S/c1-2-5-11-7-4-3-6(8)9-10-7/h2-4H,1,5H2
InChIKeyVQMLCRVIQVDTJK-UHFFFAOYSA-N
MW186.67 g/mol
LogP2.41
Rot. Bonds3

About 3-chloro-6-prop-2-enylsulfanylpyridazine

3-chloro-6-prop-2-enylsulfanylpyridazine (PubChem CID 21217667) has the molecular formula C7H7ClN2S and a molecular weight of 186.67 g/mol. Its IUPAC name is 3-chloro-6-prop-2-enylsulfanylpyridazine.

Molecular Properties

Compound Name3-chloro-6-prop-2-enylsulfanylpyridazine
PubChem CID21217667
Molecular FormulaC7H7ClN2S
Molecular Weight186.67 g/mol
Exact Mass186.00
IUPAC Name3-chloro-6-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1ccc(Cl)nn1
InChIInChI=1S/C7H7ClN2S/c1-2-5-11-7-4-3-6(8)9-10-7/h2-4H,1,5H2
InChIKeyVQMLCRVIQVDTJK-UHFFFAOYSA-N
XLogP2.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.67
LogP ≤ 52.41
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-Chloro-6-(methylsulfonyl)pyridazine
CID 252476
3,6-Dichloro-4-(methylsulfanyl)pyridazine
CID 81765999
2-((6-Chloropyridazin-3-yl)thio)acetic acid
CID 6418482
2-[(6-Chloro-3-pyridazinyl)thio]ethanol
CID 13052629
3-(Methylsulfanyl)-6-[(prop-2-en-1-yl)sulfanyl]pyridazine
CID 71414055
3-Ethylthio-6-allylthio-pyridazine
CID 86061224
3-Propylthio-6-allylthio-pyridazine
CID 86061225
3-Chloro-6-(4,4-difluorobut-3-enylsulfanyl)pyridazine
CID 21850460
3-Chloro-6-((trifluoromethyl)thio)pyridazine
CID 75406411
3-Chloro-6-(propan-2-ylsulfanyl)pyridazine
CID 22425634
2-(6-Chloro-pyridazin-3-yl)-isothiourea hydrochloride
CID 129760458

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-prop-2-enylsulfanylpyridazine?
The IUPAC name of 3-chloro-6-prop-2-enylsulfanylpyridazine (CID 21217667) is 3-chloro-6-prop-2-enylsulfanylpyridazine.
What is the SMILES notation for 3-chloro-6-prop-2-enylsulfanylpyridazine?
The canonical SMILES for 3-chloro-6-prop-2-enylsulfanylpyridazine is C=CCSc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-prop-2-enylsulfanylpyridazine?
The InChIKey is VQMLCRVIQVDTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2S/c1-2-5-11-7-4-3-6(8)9-10-7/h2-4H,1,5H2.
What are the key properties of 3-chloro-6-prop-2-enylsulfanylpyridazine?
3-chloro-6-prop-2-enylsulfanylpyridazine has a molecular weight of 186.67 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-prop-2-enylsulfanylpyridazine is sourced from PubChem (CID 21217667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).