3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide

C7H7ClN2O2S — CID 62785144

IUPAC3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
SMILESO=S1(=O)CCc2nnc(Cl)cc2C1
InChIInChI=1S/C7H7ClN2O2S/c8-7-3-5-4-13(11,12)2-1-6(5)9-10-7/h3H,1-2,4H2
InChIKeyKEESSZFEXPEZAL-UHFFFAOYSA-N
MW218.66 g/mol
LogP0.60
Rot. Bonds

About 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide

3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide (PubChem CID 62785144) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide.

Molecular Properties

Compound Name3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
PubChem CID62785144
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
SMILESO=S1(=O)CCc2nnc(Cl)cc2C1
InChIInChI=1S/C7H7ClN2O2S/c8-7-3-5-4-13(11,12)2-1-6(5)9-10-7/h3H,1-2,4H2
InChIKeyKEESSZFEXPEZAL-UHFFFAOYSA-N
XLogP0.60
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
The IUPAC name of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide (CID 62785144) is 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide.
What is the SMILES notation for 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
The canonical SMILES for 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide is O=S1(=O)CCc2nnc(Cl)cc2C1.
What is the InChIKey of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
The InChIKey is KEESSZFEXPEZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c8-7-3-5-4-13(11,12)2-1-6(5)9-10-7/h3H,1-2,4H2.
What are the key properties of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide?
3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide has a molecular weight of 218.66 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide is sourced from PubChem (CID 62785144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).