3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide

C6H5ClN2O2S — CID 115023763

IUPAC3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide
SMILESO=S1(=O)Cc2cc(Cl)nnc2C1
InChIInChI=1S/C6H5ClN2O2S/c7-6-1-4-2-12(10,11)3-5(4)8-9-6/h1H,2-3H2
InChIKeyFIGXXIPUCGYKDR-UHFFFAOYSA-N
MW204.64 g/mol
LogP0.56
Rot. Bonds

About 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide

3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide (PubChem CID 115023763) has the molecular formula C6H5ClN2O2S and a molecular weight of 204.64 g/mol. Its IUPAC name is 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide.

Molecular Properties

Compound Name3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide
PubChem CID115023763
Molecular FormulaC6H5ClN2O2S
Molecular Weight204.64 g/mol
Exact Mass203.98
IUPAC Name3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide
SMILESO=S1(=O)Cc2cc(Cl)nnc2C1
InChIInChI=1S/C6H5ClN2O2S/c7-6-1-4-2-12(10,11)3-5(4)8-9-6/h1H,2-3H2
InChIKeyFIGXXIPUCGYKDR-UHFFFAOYSA-N
XLogP0.56
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide?
The IUPAC name of 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide (CID 115023763) is 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide.
What is the SMILES notation for 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide?
The canonical SMILES for 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide is O=S1(=O)Cc2cc(Cl)nnc2C1.
What is the InChIKey of 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide?
The InChIKey is FIGXXIPUCGYKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2S/c7-6-1-4-2-12(10,11)3-5(4)8-9-6/h1H,2-3H2.
What are the key properties of 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide?
3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide has a molecular weight of 204.64 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide is sourced from PubChem (CID 115023763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).