3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione

C10H18N2S — CID 10035638

IUPAC3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione
SMILESCC(C)c1[nH]c(=S)n(C)c1C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)8-9(7(3)4)12(5)10(13)11-8/h6-7H,1-5H3,(H,11,13)
InChIKeyFTQUDFQREPRMJJ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.33
Rot. Bonds2

About 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione

3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione (PubChem CID 10035638) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione
PubChem CID10035638
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione
SMILESCC(C)c1[nH]c(=S)n(C)c1C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)8-9(7(3)4)12(5)10(13)11-8/h6-7H,1-5H3,(H,11,13)
InChIKeyFTQUDFQREPRMJJ-UHFFFAOYSA-N
XLogP3.33
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.33
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

4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol
CID 4961975
1,3-Dihydro-4-methyl-5-(2-methylpropyl)-2H-imidazole-2-thione
CID 4912832
Srqweyqyhorvey-uhfffaoysa-
CID 50936786
4,5-Dipropyl-1,3-dihydroimidazole-2-thione
CID 10081096
3,4,4,5,6-pentamethyl-1H-pyrimidine-2-thione
CID 54268935
4,5-di(propan-2-yl)-2,3-dihydro-1H-imidazole
CID 57798177
3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione
CID 59931580
4-ethyl-3,5-dimethyl-1H-imidazole-2-thione
CID 59931581
3,4-dimethyl-5-propan-2-yl-1H-imidazole-2-thione
CID 89411299
3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole
CID 130432034
3-Methyl-4,5-di(propan-2-yl)-1,2-dihydroimidazole
CID 130432035
3,4-Dimethyl-5-propan-2-yl-1,2-dihydroimidazole
CID 146392623

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione?
The IUPAC name of 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione (CID 10035638) is 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione?
The canonical SMILES for 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione is CC(C)c1[nH]c(=S)n(C)c1C(C)C.
What is the InChIKey of 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione?
The InChIKey is FTQUDFQREPRMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-6(2)8-9(7(3)4)12(5)10(13)11-8/h6-7H,1-5H3,(H,11,13).
What are the key properties of 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione?
3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione has a molecular weight of 198.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione is sourced from PubChem (CID 10035638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).