3,4-dichloro-6-(thiolan-3-yl)pyridazine

C8H8Cl2N2S — CID 117105033

IUPAC3,4-dichloro-6-(thiolan-3-yl)pyridazine
SMILESClc1cc(C2CCSC2)nnc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeySNESTHLRMPPFHE-UHFFFAOYSA-N
MW235.14 g/mol
LogP3.00
Rot. Bonds1

About 3,4-dichloro-6-(thiolan-3-yl)pyridazine

3,4-dichloro-6-(thiolan-3-yl)pyridazine (PubChem CID 117105033) has the molecular formula C8H8Cl2N2S and a molecular weight of 235.14 g/mol. Its IUPAC name is 3,4-dichloro-6-(thiolan-3-yl)pyridazine.

Molecular Properties

Compound Name3,4-dichloro-6-(thiolan-3-yl)pyridazine
PubChem CID117105033
Molecular FormulaC8H8Cl2N2S
Molecular Weight235.14 g/mol
Exact Mass233.98
IUPAC Name3,4-dichloro-6-(thiolan-3-yl)pyridazine
SMILESClc1cc(C2CCSC2)nnc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeySNESTHLRMPPFHE-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-6-(thiolan-3-yl)pyridazine?
The IUPAC name of 3,4-dichloro-6-(thiolan-3-yl)pyridazine (CID 117105033) is 3,4-dichloro-6-(thiolan-3-yl)pyridazine.
What is the SMILES notation for 3,4-dichloro-6-(thiolan-3-yl)pyridazine?
The canonical SMILES for 3,4-dichloro-6-(thiolan-3-yl)pyridazine is Clc1cc(C2CCSC2)nnc1Cl.
What is the InChIKey of 3,4-dichloro-6-(thiolan-3-yl)pyridazine?
The InChIKey is SNESTHLRMPPFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2.
What are the key properties of 3,4-dichloro-6-(thiolan-3-yl)pyridazine?
3,4-dichloro-6-(thiolan-3-yl)pyridazine has a molecular weight of 235.14 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-6-(thiolan-3-yl)pyridazine is sourced from PubChem (CID 117105033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).