3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide

C8H8Cl2N2O2S — CID 117105017

IUPAC3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)c(Cl)nn2)C1
InChIInChI=1S/C8H8Cl2N2O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2
InChIKeyBHFSTNQXXRCDNJ-UHFFFAOYSA-N
MW267.14 g/mol
LogP1.69
Rot. Bonds1

About 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide

3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide (PubChem CID 117105017) has the molecular formula C8H8Cl2N2O2S and a molecular weight of 267.14 g/mol. Its IUPAC name is 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide
PubChem CID117105017
Molecular FormulaC8H8Cl2N2O2S
Molecular Weight267.14 g/mol
Exact Mass265.97
IUPAC Name3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)c(Cl)nn2)C1
InChIInChI=1S/C8H8Cl2N2O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2
InChIKeyBHFSTNQXXRCDNJ-UHFFFAOYSA-N
XLogP1.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-6-[4-(methylsulfonylmethyl)phenyl]pyridazine
CID 58118957
3-Chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine
CID 141054311
3-chloro-5H,7H,8H-6lambda6-thiopyrano[4,3-c]pyridazine-6,6-dione
CID 62785144
3-chloro-7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 65046814
3-Chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
CID 104514371
3-Chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
CID 104514382
3-Chloro-6-(2-methylsulfonylethylsulfanylmethyl)pyridazine
CID 104514385
3-Chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine
CID 107747457
3-Chloro-6-(2-methylbutylsulfanylmethyl)pyridazine
CID 107747475
3-Chloro-6-(3-methylbutylsulfanylmethyl)pyridazine
CID 107747492
3-Chloro-5,7-dihydrothieno[3,4-c]pyridazine 6,6-dioxide
CID 115023763
3-(6-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105009

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide (CID 117105017) is 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2cc(Cl)c(Cl)nn2)C1.
What is the InChIKey of 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide?
The InChIKey is BHFSTNQXXRCDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2.
What are the key properties of 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide?
3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide has a molecular weight of 267.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloropyridazin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117105017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).