3-chlorothieno[2,3-d]pyridazine

C6H3ClN2S — CID 22892637

IUPAC3-chlorothieno[2,3-d]pyridazine
SMILESClc1csc2cnncc12
InChIInChI=1S/C6H3ClN2S/c7-5-3-10-6-2-9-8-1-4(5)6/h1-3H
InChIKeyCZJSMNIQHOLMQM-UHFFFAOYSA-N
MW170.62 g/mol
LogP2.34
Rot. Bonds

About 3-chlorothieno[2,3-d]pyridazine

3-chlorothieno[2,3-d]pyridazine (PubChem CID 22892637) has the molecular formula C6H3ClN2S and a molecular weight of 170.62 g/mol. Its IUPAC name is 3-chlorothieno[2,3-d]pyridazine.

Molecular Properties

Compound Name3-chlorothieno[2,3-d]pyridazine
PubChem CID22892637
Molecular FormulaC6H3ClN2S
Molecular Weight170.62 g/mol
Exact Mass169.97
IUPAC Name3-chlorothieno[2,3-d]pyridazine
SMILESClc1csc2cnncc12
InChIInChI=1S/C6H3ClN2S/c7-5-3-10-6-2-9-8-1-4(5)6/h1-3H
InChIKeyCZJSMNIQHOLMQM-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chlorothieno[2,3-d]pyridazine?
The IUPAC name of 3-chlorothieno[2,3-d]pyridazine (CID 22892637) is 3-chlorothieno[2,3-d]pyridazine.
What is the SMILES notation for 3-chlorothieno[2,3-d]pyridazine?
The canonical SMILES for 3-chlorothieno[2,3-d]pyridazine is Clc1csc2cnncc12.
What is the InChIKey of 3-chlorothieno[2,3-d]pyridazine?
The InChIKey is CZJSMNIQHOLMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S/c7-5-3-10-6-2-9-8-1-4(5)6/h1-3H.
What are the key properties of 3-chlorothieno[2,3-d]pyridazine?
3-chlorothieno[2,3-d]pyridazine has a molecular weight of 170.62 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorothieno[2,3-d]pyridazine is sourced from PubChem (CID 22892637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).