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

C8H12N2S — CID 43298787

IUPAC3-(cyclobutylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CC1CCC1
InChIInChI=1S/C8H12N2S/c11-8-9-4-5-10(8)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,9,11)
InChIKeyKZYSTMVWILOHBA-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.35
Rot. Bonds2

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

3-(cyclobutylmethyl)-1H-imidazole-2-thione (PubChem CID 43298787) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-1H-imidazole-2-thione
PubChem CID43298787
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3-(cyclobutylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CC1CCC1
InChIInChI=1S/C8H12N2S/c11-8-9-4-5-10(8)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,9,11)
InChIKeyKZYSTMVWILOHBA-UHFFFAOYSA-N
XLogP2.35
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.35
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-(cyclopentylmethyl)-1H-imidazole-2-thione
CID 43371190
3-(2-methylbutyl)-1H-imidazole-2-thione
CID 62693099
3-(4-methylpentyl)-1H-imidazole-2-thione
CID 63003167
3-(2,3-dimethylbutyl)-1H-imidazole-2-thione
CID 64599410
3-(2-cyclopropylethyl)-1H-imidazole-2-thione
CID 65560235
3-(cyclobutylmethyl)-4-methyl-1H-imidazole-2-thione
CID 81335639
3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione
CID 105419235
3-[(1-methylcyclobutyl)methyl]-1H-imidazole-2-thione
CID 105759116
3-[(1-ethylcyclobutyl)methyl]-1H-imidazole-2-thione
CID 105759117

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(cyclobutylmethyl)-1H-imidazole-2-thione (CID 43298787) is 3-(cyclobutylmethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(cyclobutylmethyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(cyclobutylmethyl)-1H-imidazole-2-thione is S=c1[nH]ccn1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-1H-imidazole-2-thione?
The InChIKey is KZYSTMVWILOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c11-8-9-4-5-10(8)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,9,11).
What are the key properties of 3-(cyclobutylmethyl)-1H-imidazole-2-thione?
3-(cyclobutylmethyl)-1H-imidazole-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 43298787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).