1,3,4,5-tetramethylimidazole-2-thione

C7H12N2S — CID 12503287

IUPAC1,3,4,5-tetramethylimidazole-2-thione
SMILESCc1c(C)n(C)c(=S)n1C
InChIInChI=1S/C7H12N2S/c1-5-6(2)9(4)7(10)8(5)3/h1-4H3
InChIKeyUEALYGMEMQDEMQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.71
Rot. Bonds

About 1,3,4,5-tetramethylimidazole-2-thione

1,3,4,5-tetramethylimidazole-2-thione (PubChem CID 12503287) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1,3,4,5-tetramethylimidazole-2-thione.

Molecular Properties

Compound Name1,3,4,5-tetramethylimidazole-2-thione
PubChem CID12503287
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1,3,4,5-tetramethylimidazole-2-thione
SMILESCc1c(C)n(C)c(=S)n1C
InChIInChI=1S/C7H12N2S/c1-5-6(2)9(4)7(10)8(5)3/h1-4H3
InChIKeyUEALYGMEMQDEMQ-UHFFFAOYSA-N
XLogP1.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethylimidazole-2-thione?
The IUPAC name of 1,3,4,5-tetramethylimidazole-2-thione (CID 12503287) is 1,3,4,5-tetramethylimidazole-2-thione.
What is the SMILES notation for 1,3,4,5-tetramethylimidazole-2-thione?
The canonical SMILES for 1,3,4,5-tetramethylimidazole-2-thione is Cc1c(C)n(C)c(=S)n1C.
What is the InChIKey of 1,3,4,5-tetramethylimidazole-2-thione?
The InChIKey is UEALYGMEMQDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-6(2)9(4)7(10)8(5)3/h1-4H3.
What are the key properties of 1,3,4,5-tetramethylimidazole-2-thione?
1,3,4,5-tetramethylimidazole-2-thione has a molecular weight of 156.25 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethylimidazole-2-thione is sourced from PubChem (CID 12503287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).