4-cyclohexyl-3-methyl-1H-imidazole-2-thione

C10H16N2S — CID 123758189

IUPAC4-cyclohexyl-3-methyl-1H-imidazole-2-thione
SMILESCn1c(C2CCCCC2)c[nH]c1=S
InChIInChI=1S/C10H16N2S/c1-12-9(7-11-10(12)13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,13)
InChIKeyPSSBGBKBTMGPQW-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.13
Rot. Bonds1

About 4-cyclohexyl-3-methyl-1H-imidazole-2-thione

4-cyclohexyl-3-methyl-1H-imidazole-2-thione (PubChem CID 123758189) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-cyclohexyl-3-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-cyclohexyl-3-methyl-1H-imidazole-2-thione
PubChem CID123758189
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-cyclohexyl-3-methyl-1H-imidazole-2-thione
SMILESCn1c(C2CCCCC2)c[nH]c1=S
InChIInChI=1S/C10H16N2S/c1-12-9(7-11-10(12)13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,13)
InChIKeyPSSBGBKBTMGPQW-UHFFFAOYSA-N
XLogP3.13
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.13
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

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CID 102593989
4-cyclohexyl-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxylic acid
CID 117224999
4-tert-butyl-3-(cyclohexylmethyl)-1H-imidazole-2-thione
CID 81334583
4-ethyl-3-(2-methylcycloheptyl)-1H-imidazole-2-thione
CID 81334998
4-cyclopentyl-1,3-dihydroimidazole-2-thione
CID 79006683
3-(1-cyclohexylethyl)-4-ethyl-1H-imidazole-2-thione
CID 81335326
5-cycloheptyl-1H-pyrimidine-2-thione
CID 13164001
5-cyclohexyl-1-methylpyrazol-3-amine
CID 83696183
1-(3-methyl-2-sulfanylidene-1H-imidazol-4-yl)ethanone
CID 58958470
5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one
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N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-methyl-1H-imidazole-2-thione?
The IUPAC name of 4-cyclohexyl-3-methyl-1H-imidazole-2-thione (CID 123758189) is 4-cyclohexyl-3-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-cyclohexyl-3-methyl-1H-imidazole-2-thione?
The canonical SMILES for 4-cyclohexyl-3-methyl-1H-imidazole-2-thione is Cn1c(C2CCCCC2)c[nH]c1=S.
What is the InChIKey of 4-cyclohexyl-3-methyl-1H-imidazole-2-thione?
The InChIKey is PSSBGBKBTMGPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-12-9(7-11-10(12)13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,13).
What are the key properties of 4-cyclohexyl-3-methyl-1H-imidazole-2-thione?
4-cyclohexyl-3-methyl-1H-imidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 123758189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).