2,3-dimethyl-4H-imidazole-5-thione

C5H8N2S — CID 151557760

IUPAC2,3-dimethyl-4H-imidazole-5-thione
SMILESCC1=NC(=S)CN1C
InChIInChI=1S/C5H8N2S/c1-4-6-5(8)3-7(4)2/h3H2,1-2H3
InChIKeyQBVJYUDPVUSXBM-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.68
Rot. Bonds

About 2,3-dimethyl-4H-imidazole-5-thione

2,3-dimethyl-4H-imidazole-5-thione (PubChem CID 151557760) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 2,3-dimethyl-4H-imidazole-5-thione.

Molecular Properties

Compound Name2,3-dimethyl-4H-imidazole-5-thione
PubChem CID151557760
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name2,3-dimethyl-4H-imidazole-5-thione
SMILESCC1=NC(=S)CN1C
InChIInChI=1S/C5H8N2S/c1-4-6-5(8)3-7(4)2/h3H2,1-2H3
InChIKeyQBVJYUDPVUSXBM-UHFFFAOYSA-N
XLogP0.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-methylimidazoline
CID 10996989
1,2-Dimethyl-4,5-dihydro-1H-imidazole
CID 12762328
1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium
CID 499186
1,3-Diethyl-4,5-dihydro-1H-imidazol-3-ium-2-carbodithioate
CID 12782485
1-Ethyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
CID 11030887
1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium iodide
CID 11287892
2-Methyl-1-sulfanyl-4,5-dihydroimidazole
CID 20217693
1-Methyl-4,5-dihydroimidazole-2-carbothialdehyde;hydroiodide
CID 20298170
1,1,2-Trimethyl-4,5-dihydroimidazol-1-ium
CID 20652627
1-Ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium
CID 20748340
N,1,2-trimethyl-4H-imidazol-5-imine
CID 21131857
1,2-dimethyl-4,5-dihydro-1H-imidazole hydrochloride
CID 21527871

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4H-imidazole-5-thione?
The IUPAC name of 2,3-dimethyl-4H-imidazole-5-thione (CID 151557760) is 2,3-dimethyl-4H-imidazole-5-thione.
What is the SMILES notation for 2,3-dimethyl-4H-imidazole-5-thione?
The canonical SMILES for 2,3-dimethyl-4H-imidazole-5-thione is CC1=NC(=S)CN1C.
What is the InChIKey of 2,3-dimethyl-4H-imidazole-5-thione?
The InChIKey is QBVJYUDPVUSXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-6-5(8)3-7(4)2/h3H2,1-2H3.
What are the key properties of 2,3-dimethyl-4H-imidazole-5-thione?
2,3-dimethyl-4H-imidazole-5-thione has a molecular weight of 128.20 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4H-imidazole-5-thione is sourced from PubChem (CID 151557760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).