3-chloro-[1]benzothiolo[3,2-c]pyridazine

C10H5ClN2S — CID 14458442

IUPAC3-chloro-[1]benzothiolo[3,2-c]pyridazine
SMILESClc1cc2sc3ccccc3c2nn1
InChIInChI=1S/C10H5ClN2S/c11-9-5-8-10(13-12-9)6-3-1-2-4-7(6)14-8/h1-5H
InChIKeyQWSATGKSGQCAQJ-UHFFFAOYSA-N
MW220.68 g/mol
LogP3.50
Rot. Bonds

About 3-chloro-[1]benzothiolo[3,2-c]pyridazine

3-chloro-[1]benzothiolo[3,2-c]pyridazine (PubChem CID 14458442) has the molecular formula C10H5ClN2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 3-chloro-[1]benzothiolo[3,2-c]pyridazine.

Molecular Properties

Compound Name3-chloro-[1]benzothiolo[3,2-c]pyridazine
PubChem CID14458442
Molecular FormulaC10H5ClN2S
Molecular Weight220.68 g/mol
Exact Mass219.99
IUPAC Name3-chloro-[1]benzothiolo[3,2-c]pyridazine
SMILESClc1cc2sc3ccccc3c2nn1
InChIInChI=1S/C10H5ClN2S/c11-9-5-8-10(13-12-9)6-3-1-2-4-7(6)14-8/h1-5H
InChIKeyQWSATGKSGQCAQJ-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-((4-Chlorobenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 16019293
3-((3-Chlorobenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 16019291
4-Chloro-[1]benzothiolo[2,3-e]triazine
CID 12269873
4-Chloro-7-fluoro-[1]benzothiolo[3,2-d]triazine
CID 152778788
4-Chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine
CID 152778792
4-Chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
CID 154634198
4-Chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
CID 154634762
3-Chloro-6-(3-thienyl)pyridazine
CID 13573481
6-Chloro-3-phenyl-4-thiophen-2-ylpyridazine
CID 11300257
6-Chloro-12,13-diphenyl-8-thia-3,4,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 86063665
Thieno[3,2-c]cinnoline
CID 12532433
3-Chloro-6-thien-3-yl-pyridazine hydrochloric acid salt
CID 17984766

Frequently Asked Questions

What is the IUPAC name of 3-chloro-[1]benzothiolo[3,2-c]pyridazine?
The IUPAC name of 3-chloro-[1]benzothiolo[3,2-c]pyridazine (CID 14458442) is 3-chloro-[1]benzothiolo[3,2-c]pyridazine.
What is the SMILES notation for 3-chloro-[1]benzothiolo[3,2-c]pyridazine?
The canonical SMILES for 3-chloro-[1]benzothiolo[3,2-c]pyridazine is Clc1cc2sc3ccccc3c2nn1.
What is the InChIKey of 3-chloro-[1]benzothiolo[3,2-c]pyridazine?
The InChIKey is QWSATGKSGQCAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2S/c11-9-5-8-10(13-12-9)6-3-1-2-4-7(6)14-8/h1-5H.
What are the key properties of 3-chloro-[1]benzothiolo[3,2-c]pyridazine?
3-chloro-[1]benzothiolo[3,2-c]pyridazine has a molecular weight of 220.68 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-[1]benzothiolo[3,2-c]pyridazine is sourced from PubChem (CID 14458442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).