3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine

C11H8Cl2N2S — CID 104514370

IUPAC3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine
SMILESClc1cccc(SCc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8Cl2N2S/c12-8-2-1-3-10(6-8)16-7-9-4-5-11(13)15-14-9/h1-6H,7H2
InChIKeyKBKCGQFRGACQRS-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.08
Rot. Bonds3

About 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine

3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine (PubChem CID 104514370) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine
PubChem CID104514370
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine
SMILESClc1cccc(SCc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8Cl2N2S/c12-8-2-1-3-10(6-8)16-7-9-4-5-11(13)15-14-9/h1-6H,7H2
InChIKeyKBKCGQFRGACQRS-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
CID 104590024
4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
CID 104514355
2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 60620513
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine
CID 66147650
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272
4-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 62645923
2-[(3-bromophenyl)sulfanylmethyl]-4-chloropyridine
CID 79245716
[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol
CID 66146896
[5-[(3-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 66146673
5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62646506

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine?
The IUPAC name of 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine (CID 104514370) is 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine is Clc1cccc(SCc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine?
The InChIKey is KBKCGQFRGACQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-8-2-1-3-10(6-8)16-7-9-4-5-11(13)15-14-9/h1-6H,7H2.
What are the key properties of 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine?
3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine has a molecular weight of 271.17 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine is sourced from PubChem (CID 104514370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).