2-(tert-butylsulfanylmethyl)-1H-imidazole

C8H14N2S — CID 126997669

IUPAC2-(tert-butylsulfanylmethyl)-1H-imidazole
SMILESCC(C)(C)SCc1ncc[nH]1
InChIInChI=1S/C8H14N2S/c1-8(2,3)11-6-7-9-4-5-10-7/h4-5H,6H2,1-3H3,(H,9,10)
InChIKeyFFEXVLAFPYNUTM-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.44
Rot. Bonds2

About 2-(tert-butylsulfanylmethyl)-1H-imidazole

2-(tert-butylsulfanylmethyl)-1H-imidazole (PubChem CID 126997669) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-1H-imidazole
PubChem CID126997669
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(tert-butylsulfanylmethyl)-1H-imidazole
SMILESCC(C)(C)SCc1ncc[nH]1
InChIInChI=1S/C8H14N2S/c1-8(2,3)11-6-7-9-4-5-10-7/h4-5H,6H2,1-3H3,(H,9,10)
InChIKeyFFEXVLAFPYNUTM-UHFFFAOYSA-N
XLogP2.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115618886
1H-imidazol-2-ylmethylsulfanylalumane
CID 154560306
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
ethane;2-ethyl-1H-imidazole
CID 144736598
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-ethyl-1H-imidazole;methanol
CID 176573862
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
CID 125455900
(2S)-2-[[2-(1H-imidazol-2-ylmethylsulfanyl)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 139669791
tris(1H-imidazol-2-ylmethyl)-methylazanium
CID 18690534
2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole
CID 61084429
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-1H-imidazole?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-1H-imidazole (CID 126997669) is 2-(tert-butylsulfanylmethyl)-1H-imidazole.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-1H-imidazole?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-1H-imidazole is CC(C)(C)SCc1ncc[nH]1.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-1H-imidazole?
The InChIKey is FFEXVLAFPYNUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-8(2,3)11-6-7-9-4-5-10-7/h4-5H,6H2,1-3H3,(H,9,10).
What are the key properties of 2-(tert-butylsulfanylmethyl)-1H-imidazole?
2-(tert-butylsulfanylmethyl)-1H-imidazole has a molecular weight of 170.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-1H-imidazole is sourced from PubChem (CID 126997669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).