1-methyl-2,5-bis(methylsulfanyl)imidazole

C6H10N2S2 — CID 3266083

IUPAC1-methyl-2,5-bis(methylsulfanyl)imidazole
SMILESCSc1cnc(SC)n1C
InChIInChI=1S/C6H10N2S2/c1-8-5(9-2)4-7-6(8)10-3/h4H,1-3H3
InChIKeyXJKNXYUAPKVYPH-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.86
Rot. Bonds2

About 1-methyl-2,5-bis(methylsulfanyl)imidazole

1-methyl-2,5-bis(methylsulfanyl)imidazole (PubChem CID 3266083) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-methyl-2,5-bis(methylsulfanyl)imidazole.

Molecular Properties

Compound Name1-methyl-2,5-bis(methylsulfanyl)imidazole
PubChem CID3266083
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name1-methyl-2,5-bis(methylsulfanyl)imidazole
SMILESCSc1cnc(SC)n1C
InChIInChI=1S/C6H10N2S2/c1-8-5(9-2)4-7-6(8)10-3/h4H,1-3H3
InChIKeyXJKNXYUAPKVYPH-UHFFFAOYSA-N
XLogP1.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methimazole methyl sulfide
CID 581856
1-(Methyldithiocarbonyl)imidazole
CID 11062662
3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propanenitrile
CID 658702
3-methyl-1-((methylsulfanyl)methanethioyl)-1H-imidazol-3-ium iodide
CID 10924556
1-Methyl-2-methylsulfinyl-imidazole
CID 3009058
Butyl imidazole-1-carbodithioate
CID 76324392
Imidazole, 1-methyl-2-(prop-2-ynyl)thio-, hydrobromide
CID 3050297
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylthio)-
CID 3080453
5-Bromo-1-methyl-2-(methylthio)-1H-imidazole
CID 10375717
1H-Imidazole, 2-[(difluoromethyl)thio]-1-methyl-
CID 89602358
2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine
CID 4962504
1,2-Dimethyl-5-methylsulfanyl-1h-imidazole
CID 10844489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-bis(methylsulfanyl)imidazole?
The IUPAC name of 1-methyl-2,5-bis(methylsulfanyl)imidazole (CID 3266083) is 1-methyl-2,5-bis(methylsulfanyl)imidazole.
What is the SMILES notation for 1-methyl-2,5-bis(methylsulfanyl)imidazole?
The canonical SMILES for 1-methyl-2,5-bis(methylsulfanyl)imidazole is CSc1cnc(SC)n1C.
What is the InChIKey of 1-methyl-2,5-bis(methylsulfanyl)imidazole?
The InChIKey is XJKNXYUAPKVYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-8-5(9-2)4-7-6(8)10-3/h4H,1-3H3.
What are the key properties of 1-methyl-2,5-bis(methylsulfanyl)imidazole?
1-methyl-2,5-bis(methylsulfanyl)imidazole has a molecular weight of 174.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-bis(methylsulfanyl)imidazole is sourced from PubChem (CID 3266083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).