2,5-bis(ethylsulfanyl)-1-methylimidazole

C8H14N2S2 — CID 10987327

IUPAC2,5-bis(ethylsulfanyl)-1-methylimidazole
SMILESCCSc1cnc(SCC)n1C
InChIInChI=1S/C8H14N2S2/c1-4-11-7-6-9-8(10(7)3)12-5-2/h6H,4-5H2,1-3H3
InChIKeyXFILNPZEKRQWPF-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.64
Rot. Bonds4

About 2,5-bis(ethylsulfanyl)-1-methylimidazole

2,5-bis(ethylsulfanyl)-1-methylimidazole (PubChem CID 10987327) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is 2,5-bis(ethylsulfanyl)-1-methylimidazole.

Molecular Properties

Compound Name2,5-bis(ethylsulfanyl)-1-methylimidazole
PubChem CID10987327
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC Name2,5-bis(ethylsulfanyl)-1-methylimidazole
SMILESCCSc1cnc(SCC)n1C
InChIInChI=1S/C8H14N2S2/c1-4-11-7-6-9-8(10(7)3)12-5-2/h6H,4-5H2,1-3H3
InChIKeyXFILNPZEKRQWPF-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methimazole methyl sulfide
CID 581856
3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propanenitrile
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CID 76324392
Imidazole, 1-methyl-2-(prop-2-ynyl)thio-, hydrobromide
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2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine
CID 4962504
1,2-Dimethyl-5-methylsulfanyl-1h-imidazole
CID 10844489
1-Ethyl-2-(methylthio)-1H-imidazole
CID 12503267
1-methyl-2-(methylsulfanyl)-1H-imidazole hydrochloride
CID 122360112
1-Methyl-2-(2-propen-1-ylthio)-1H-imidazole
CID 10964730
1-Methyl-1H-imidazole-5-thiol
CID 25164830
1-Methylimidazole-4-thiol
CID 25164831
Imidazo [5,1-b]thiazoline
CID 68400206

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethylsulfanyl)-1-methylimidazole?
The IUPAC name of 2,5-bis(ethylsulfanyl)-1-methylimidazole (CID 10987327) is 2,5-bis(ethylsulfanyl)-1-methylimidazole.
What is the SMILES notation for 2,5-bis(ethylsulfanyl)-1-methylimidazole?
The canonical SMILES for 2,5-bis(ethylsulfanyl)-1-methylimidazole is CCSc1cnc(SCC)n1C.
What is the InChIKey of 2,5-bis(ethylsulfanyl)-1-methylimidazole?
The InChIKey is XFILNPZEKRQWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-4-11-7-6-9-8(10(7)3)12-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 2,5-bis(ethylsulfanyl)-1-methylimidazole?
2,5-bis(ethylsulfanyl)-1-methylimidazole has a molecular weight of 202.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethylsulfanyl)-1-methylimidazole is sourced from PubChem (CID 10987327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).