2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole

C10H8Cl2N2S — CID 15077493

IUPAC2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-14-6-5-13-10(14)15-9-7(11)3-2-4-8(9)12/h2-6H,1H3
InChIKeyYEIXXQZKALEYAL-UHFFFAOYSA-N
MW259.16 g/mol
LogP3.88
Rot. Bonds2

About 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole

2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole (PubChem CID 15077493) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole
PubChem CID15077493
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-14-6-5-13-10(14)15-9-7(11)3-2-4-8(9)12/h2-6H,1H3
InChIKeyYEIXXQZKALEYAL-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-Chlorophenyl)sulfanylethyl]imidazole
CID 762587
1-[4-(4-Chlorophenyl)sulfanylbutyl]imidazole
CID 2922879
2-[(2,4-Dichlorophenyl)methylthio]-1-methylimidazole
CID 16280550
Cambridge id 7017928
CID 2924106
1-[1,1,2,2-Tetrafluoro-2-(4-chlorophenylthio)ethyl]-1H-imidazole
CID 130318736
2-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole
CID 4550698
1-Methyl-2-phenylsulfanyl-1H-imidazole
CID 10241768
1H-Imidazole, 1-(methoxymethyl)-2-(phenylthio)-
CID 11020414
2-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole
CID 15077512
2-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
CID 22155964
(2-Chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-lambda6-sulfane
CID 67058095
2-(2-Fluorophenyl)sulfanyl-1-methylimidazole
CID 91422235

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole (CID 15077493) is 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole is Cn1ccnc1Sc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole?
The InChIKey is YEIXXQZKALEYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-14-6-5-13-10(14)15-9-7(11)3-2-4-8(9)12/h2-6H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole?
2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole has a molecular weight of 259.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfanyl-1-methylimidazole is sourced from PubChem (CID 15077493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).