2-(2-chlorophenyl)sulfanyl-1-methylimidazole

C10H9ClN2S — CID 15077484

IUPAC2-(2-chlorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccccc1Cl
InChIInChI=1S/C10H9ClN2S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,1H3
InChIKeyANTBHJYMFRWNQJ-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.22
Rot. Bonds2

About 2-(2-chlorophenyl)sulfanyl-1-methylimidazole

2-(2-chlorophenyl)sulfanyl-1-methylimidazole (PubChem CID 15077484) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-methylimidazole
PubChem CID15077484
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccccc1Cl
InChIInChI=1S/C10H9ClN2S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,1H3
InChIKeyANTBHJYMFRWNQJ-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.22
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-[(E)-3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanylprop-2-enylidene]propanedinitrile
CID 736814
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-1-methylimidazole-4-sulfonamide
CID 2821598
Cambridge id 7017928
CID 2924106
1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-
CID 3730978
2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfanyl)-allylidene]-malonitrile
CID 5473150
1-[1,1,2,2-Tetrafluoro-2-(4-chlorophenylthio)ethyl]-1H-imidazole
CID 130318736
2-[3-(4-Chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanylprop-2-enylidene]propanedinitrile
CID 406232
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-methylimidazole?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-methylimidazole (CID 15077484) is 2-(2-chlorophenyl)sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-methylimidazole?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-methylimidazole is Cn1ccnc1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-methylimidazole?
The InChIKey is ANTBHJYMFRWNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-methylimidazole?
2-(2-chlorophenyl)sulfanyl-1-methylimidazole has a molecular weight of 224.72 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-methylimidazole is sourced from PubChem (CID 15077484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).