2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole

C6H6N4S — CID 12637930

IUPAC2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole
SMILESc1c[nH]c(Sc2ncc[nH]2)n1
InChIInChI=1S/C6H6N4S/c1-2-8-5(7-1)11-6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)
InChIKeyYAQFJFVFGWBRJG-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.28
Rot. Bonds2

About 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole

2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole (PubChem CID 12637930) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole
PubChem CID12637930
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole
SMILESc1c[nH]c(Sc2ncc[nH]2)n1
InChIInChI=1S/C6H6N4S/c1-2-8-5(7-1)11-6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)
InChIKeyYAQFJFVFGWBRJG-UHFFFAOYSA-N
XLogP1.28
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Biimidazole
CID 101463
2-(methylsulfanyl)-1H-imidazole
CID 134652
3-methyl-2-[(3-methyl-1H-imidazol-3-ium-2-yl)disulfanyl]-1H-imidazol-3-ium diperchlorate
CID 24895132
2-((trifluoromethyl)sulfanyl)-1H-imidazole
CID 13697289
1H-imidazole;imidazole-1-sulfonic acid
CID 275085
2-(1H-imidazol-2-yl)-5-methylsulfanyl-1H-imidazole
CID 13600244
1-Methyl-1H,1'H-2,2'-biimidazole
CID 15801525
bis(1H-imidazol-3-yl)silver
CID 468680
1H-Imidazol-3-ium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium
CID 2733479
Methanol, (1H-imidazol-2-ylthio)-
CID 149050
2-Aminoimidazole hemisulfate
CID 2734684
1,2-Bis[(1H-imidazol-2-yl)methylidene]hydrazine
CID 139088023

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole (CID 12637930) is 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole is c1c[nH]c(Sc2ncc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole?
The InChIKey is YAQFJFVFGWBRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-2-8-5(7-1)11-6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole?
2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole has a molecular weight of 166.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)-1H-imidazole is sourced from PubChem (CID 12637930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).