3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione

C8H14N2S — CID 91713070

IUPAC3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione
SMILESCC(C)Cc1c[nH]c(=S)n1C
InChIInChI=1S/C8H14N2S/c1-6(2)4-7-5-9-8(11)10(7)3/h5-6H,4H2,1-3H3,(H,9,11)
InChIKeyGALGGLSETRHJAI-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.28
Rot. Bonds2

About 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione

3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione (PubChem CID 91713070) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione
PubChem CID91713070
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione
SMILESCC(C)Cc1c[nH]c(=S)n1C
InChIInChI=1S/C8H14N2S/c1-6(2)4-7-5-9-8(11)10(7)3/h5-6H,4H2,1-3H3,(H,9,11)
InChIKeyGALGGLSETRHJAI-UHFFFAOYSA-N
XLogP2.28
TPSA20.72 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 ≤ 52.28
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-Propyl-1,3-dihydroimidazole-2-thione
CID 12551762
Isopropylimidazole-2-thione
CID 5372663
1-methyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CID 12519161
2H-imidazole-2-thione, 1,3-dihydro-4-(2-methylpropyl)-
CID 59822316
4-propan-2-yl-3-(2,2,2-trifluoroethyl)-1H-imidazole-2-thione
CID 64863165
4-propan-2-yl-3-(3,3,3-trifluoropropyl)-1H-imidazole-2-thione
CID 64864926
3-(2,2-difluoroethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 115408213
4-propan-2-yl-3-(4,4,4-trifluorobutyl)-1H-imidazole-2-thione
CID 115521521
5-tert-butyl-1-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 12519160
2H-imidazole-2-thione, 1,3-dihydro-5-(1-methylethyl)-1-(2-propen-1-yl)-
CID 12519167
4-(3-aminopropyl)-1H-imidazole-2-thiol
CID 15294717
3-butyl-4-methyl-1H-imidazole-2-thione
CID 19012731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione?
The IUPAC name of 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione (CID 91713070) is 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione is CC(C)Cc1c[nH]c(=S)n1C.
What is the InChIKey of 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione?
The InChIKey is GALGGLSETRHJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)4-7-5-9-8(11)10(7)3/h5-6H,4H2,1-3H3,(H,9,11).
What are the key properties of 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione?
3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione has a molecular weight of 170.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 91713070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).