5-chloro-3-(thiolan-3-yl)pyridazine

C8H9ClN2S — CID 117105030

IUPAC5-chloro-3-(thiolan-3-yl)pyridazine
SMILESClc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H9ClN2S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2
InChIKeyKDICGALSAHASCW-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.35
Rot. Bonds1

About 5-chloro-3-(thiolan-3-yl)pyridazine

5-chloro-3-(thiolan-3-yl)pyridazine (PubChem CID 117105030) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 5-chloro-3-(thiolan-3-yl)pyridazine.

Molecular Properties

Compound Name5-chloro-3-(thiolan-3-yl)pyridazine
PubChem CID117105030
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name5-chloro-3-(thiolan-3-yl)pyridazine
SMILESClc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H9ClN2S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2
InChIKeyKDICGALSAHASCW-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyridazin-3-yl)-tetrahydrothiophen
CID 13720667
Pyridazin-3-ylmethyl 3-chloropropyl sulphide
CID 20505173
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3-Butan-2-yl-4-chloropyridazine
CID 90749430
4-Chloro-3-cyclohexylpyridazine
CID 90978527
4-Chloro-3-(2-methylpropyl)pyridazine
CID 91075699
5-Chloro-3-(2,2-dimethylpropyl)pyridazine
CID 117106889
5-Chloro-3-propan-2-ylpyridazine
CID 117106924
3-Tert-butyl-5-chloropyridazine
CID 117106928
5-Chloro-3-cyclopropylpyridazine
CID 117107176
5-Chloro-3-cyclohexylpyridazine
CID 117107213
4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine
CID 134454728

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(thiolan-3-yl)pyridazine?
The IUPAC name of 5-chloro-3-(thiolan-3-yl)pyridazine (CID 117105030) is 5-chloro-3-(thiolan-3-yl)pyridazine.
What is the SMILES notation for 5-chloro-3-(thiolan-3-yl)pyridazine?
The canonical SMILES for 5-chloro-3-(thiolan-3-yl)pyridazine is Clc1cnnc(C2CCSC2)c1.
What is the InChIKey of 5-chloro-3-(thiolan-3-yl)pyridazine?
The InChIKey is KDICGALSAHASCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2.
What are the key properties of 5-chloro-3-(thiolan-3-yl)pyridazine?
5-chloro-3-(thiolan-3-yl)pyridazine has a molecular weight of 200.69 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(thiolan-3-yl)pyridazine is sourced from PubChem (CID 117105030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).