4-bromo-3-chloro-6-(thian-4-yl)pyridazine

C9H10BrClN2S — CID 117105174

IUPAC4-bromo-3-chloro-6-(thian-4-yl)pyridazine
SMILESClc1nnc(C2CCSCC2)cc1Br
InChIInChI=1S/C9H10BrClN2S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyKJZOYQWRFCFDIG-UHFFFAOYSA-N
MW293.62 g/mol
LogP3.50
Rot. Bonds1

About 4-bromo-3-chloro-6-(thian-4-yl)pyridazine

4-bromo-3-chloro-6-(thian-4-yl)pyridazine (PubChem CID 117105174) has the molecular formula C9H10BrClN2S and a molecular weight of 293.62 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-(thian-4-yl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-chloro-6-(thian-4-yl)pyridazine
PubChem CID117105174
Molecular FormulaC9H10BrClN2S
Molecular Weight293.62 g/mol
Exact Mass291.94
IUPAC Name4-bromo-3-chloro-6-(thian-4-yl)pyridazine
SMILESClc1nnc(C2CCSCC2)cc1Br
InChIInChI=1S/C9H10BrClN2S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyKJZOYQWRFCFDIG-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5H,7H,8H-thiopyrano[4,3-c]pyridazine
CID 62785334
3-(Benzylsulfanylmethyl)-6-chloropyridazine
CID 104514301
3-[(2-Bromophenyl)sulfanylmethyl]-6-chloropyridazine
CID 104514337
3-[(4-Bromophenyl)sulfanylmethyl]-6-chloropyridazine
CID 104514338
3-Chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
CID 104514371
3-[(3-Bromophenyl)sulfanylmethyl]-6-chloropyridazine
CID 104514374
3-Chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
CID 104514382
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-(5-Bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105021
3-Chloro-6-(thiolan-3-yl)pyridazine
CID 117105025

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-6-(thian-4-yl)pyridazine?
The IUPAC name of 4-bromo-3-chloro-6-(thian-4-yl)pyridazine (CID 117105174) is 4-bromo-3-chloro-6-(thian-4-yl)pyridazine.
What is the SMILES notation for 4-bromo-3-chloro-6-(thian-4-yl)pyridazine?
The canonical SMILES for 4-bromo-3-chloro-6-(thian-4-yl)pyridazine is Clc1nnc(C2CCSCC2)cc1Br.
What is the InChIKey of 4-bromo-3-chloro-6-(thian-4-yl)pyridazine?
The InChIKey is KJZOYQWRFCFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2.
What are the key properties of 4-bromo-3-chloro-6-(thian-4-yl)pyridazine?
4-bromo-3-chloro-6-(thian-4-yl)pyridazine has a molecular weight of 293.62 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-6-(thian-4-yl)pyridazine is sourced from PubChem (CID 117105174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).