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

C8H12N2S — CID 130556260

IUPAC3-(2-methylcyclobutyl)-1H-imidazole-2-thione
SMILESCC1CCC1n1cc[nH]c1=S
InChIInChI=1S/C8H12N2S/c1-6-2-3-7(6)10-5-4-9-8(10)11/h4-7H,2-3H2,1H3,(H,9,11)
InChIKeyOPUSHYYXXUCSJG-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.52
Rot. Bonds1

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

3-(2-methylcyclobutyl)-1H-imidazole-2-thione (PubChem CID 130556260) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-(2-methylcyclobutyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-methylcyclobutyl)-1H-imidazole-2-thione
PubChem CID130556260
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3-(2-methylcyclobutyl)-1H-imidazole-2-thione
SMILESCC1CCC1n1cc[nH]c1=S
InChIInChI=1S/C8H12N2S/c1-6-2-3-7(6)10-5-4-9-8(10)11/h4-7H,2-3H2,1H3,(H,9,11)
InChIKeyOPUSHYYXXUCSJG-UHFFFAOYSA-N
XLogP2.52
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.52
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

1-Pentyl-1,3-dihydro-2H-imidazole-2-thione
CID 4214085
3-[(3,3-difluorocyclobutyl)methyl]-1H-imidazole-2-thione
CID 131183294
3-(3-methylbutyl)-1H-imidazole-2-thione
CID 43148438
3-pentan-3-yl-1H-imidazole-2-thione
CID 33788209
1-(Cyclobutylmethyl)-1,3-dihydro-2H-imidazole-2-thione
CID 43298787
3-(3-methylpentan-2-yl)-1H-imidazole-2-thione
CID 61463657
3-(2-methylpentan-3-yl)-1H-imidazole-2-thione
CID 61472489
3-(6-methylheptan-2-yl)-1H-imidazole-2-thione
CID 61472533
3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione
CID 61480438
3-[1-(dimethylamino)-4-methylpentan-2-yl]-1H-imidazole-2-thione
CID 61512339
3-hexan-2-yl-1H-imidazole-2-thione
CID 62201185
3-cyclobutyl-1H-imidazole-2-thione
CID 62414398

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclobutyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(2-methylcyclobutyl)-1H-imidazole-2-thione (CID 130556260) is 3-(2-methylcyclobutyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-methylcyclobutyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-methylcyclobutyl)-1H-imidazole-2-thione is CC1CCC1n1cc[nH]c1=S.
What is the InChIKey of 3-(2-methylcyclobutyl)-1H-imidazole-2-thione?
The InChIKey is OPUSHYYXXUCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-2-3-7(6)10-5-4-9-8(10)11/h4-7H,2-3H2,1H3,(H,9,11).
What are the key properties of 3-(2-methylcyclobutyl)-1H-imidazole-2-thione?
3-(2-methylcyclobutyl)-1H-imidazole-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclobutyl)-1H-imidazole-2-thione is sourced from PubChem (CID 130556260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).