3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine

C13H13ClN2S — CID 104514372

IUPAC3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine
SMILESCc1ccccc1CSCc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClN2S/c1-10-4-2-3-5-11(10)8-17-9-12-6-7-13(14)16-15-12/h2-7H,8-9H2,1H3
InChIKeyRDKVCMWJZCABMR-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.87
Rot. Bonds4

About 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine

3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine (PubChem CID 104514372) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine
PubChem CID104514372
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine
SMILESCc1ccccc1CSCc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClN2S/c1-10-4-2-3-5-11(10)8-17-9-12-6-7-13(14)16-15-12/h2-7H,8-9H2,1H3
InChIKeyRDKVCMWJZCABMR-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 79233187
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
CID 84603021
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78820535
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
3-chloro-6-(2-naphthalen-1-ylethyl)pyridazine
CID 163697878
N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
CID 115624553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine (CID 104514372) is 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine is Cc1ccccc1CSCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine?
The InChIKey is RDKVCMWJZCABMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-10-4-2-3-5-11(10)8-17-9-12-6-7-13(14)16-15-12/h2-7H,8-9H2,1H3.
What are the key properties of 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine?
3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine has a molecular weight of 264.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine is sourced from PubChem (CID 104514372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).