3-(3-ethylcyclohexyl)-1H-imidazole-2-thione

C11H18N2S — CID 64742818

IUPAC3-(3-ethylcyclohexyl)-1H-imidazole-2-thione
SMILESCCC1CCCC(n2cc[nH]c2=S)C1
InChIInChI=1S/C11H18N2S/c1-2-9-4-3-5-10(8-9)13-7-6-12-11(13)14/h6-7,9-10H,2-5,8H2,1H3,(H,12,14)
InChIKeyKORJSQJWGOFBNA-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.69
Rot. Bonds2

About 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione

3-(3-ethylcyclohexyl)-1H-imidazole-2-thione (PubChem CID 64742818) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-1H-imidazole-2-thione
PubChem CID64742818
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-(3-ethylcyclohexyl)-1H-imidazole-2-thione
SMILESCCC1CCCC(n2cc[nH]c2=S)C1
InChIInChI=1S/C11H18N2S/c1-2-9-4-3-5-10(8-9)13-7-6-12-11(13)14/h6-7,9-10H,2-5,8H2,1H3,(H,12,14)
InChIKeyKORJSQJWGOFBNA-UHFFFAOYSA-N
XLogP3.69
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558354
3-[3-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558357
3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558360
3-(4-methylcyclohexyl)-1H-imidazole-2-thione
CID 29062833
3-(cyclohexylmethyl)-1H-imidazole-2-thione
CID 43371600
3-(2-cyclohexylethyl)-1H-imidazole-2-thione
CID 60920964
3-(3-methylpentan-2-yl)-1H-imidazole-2-thione
CID 61463657
3-(2-ethylcyclohexyl)-1H-imidazole-2-thione
CID 61470362
3-(4-ethylcyclohexyl)-1H-imidazole-2-thione
CID 61470364
3-(6-methylheptan-2-yl)-1H-imidazole-2-thione
CID 61472533
3-octan-2-yl-1H-imidazole-2-thione
CID 61480435
3-(4-propylcyclohexyl)-1H-imidazole-2-thione
CID 61512209

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione (CID 64742818) is 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione is CCC1CCCC(n2cc[nH]c2=S)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione?
The InChIKey is KORJSQJWGOFBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-9-4-3-5-10(8-9)13-7-6-12-11(13)14/h6-7,9-10H,2-5,8H2,1H3,(H,12,14).
What are the key properties of 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione?
3-(3-ethylcyclohexyl)-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-1H-imidazole-2-thione is sourced from PubChem (CID 64742818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).