1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione

C14H26N4S — CID 160639617

IUPAC1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione
SMILESCC1=C(C)N(C)CN1C.Cc1c(C)n(C)c(=S)n1C
InChIInChI=1S/C7H12N2S.C7H14N2/c1-5-6(2)9(4)7(10)8(5)3;1-6-7(2)9(4)5-8(6)3/h1-4H3;5H2,1-4H3
InChIKeyMQFUHWQJJMRXRT-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.78
Rot. Bonds

About 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione

1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione (PubChem CID 160639617) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione
PubChem CID160639617
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione
SMILESCC1=C(C)N(C)CN1C.Cc1c(C)n(C)c(=S)n1C
InChIInChI=1S/C7H12N2S.C7H14N2/c1-5-6(2)9(4)7(10)8(5)3;1-6-7(2)9(4)5-8(6)3/h1-4H3;5H2,1-4H3
InChIKeyMQFUHWQJJMRXRT-UHFFFAOYSA-N
XLogP2.78
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione?
The IUPAC name of 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione (CID 160639617) is 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione.
What is the SMILES notation for 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione?
The canonical SMILES for 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione is CC1=C(C)N(C)CN1C.Cc1c(C)n(C)c(=S)n1C.
What is the InChIKey of 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione?
The InChIKey is MQFUHWQJJMRXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C7H14N2/c1-5-6(2)9(4)7(10)8(5)3;1-6-7(2)9(4)5-8(6)3/h1-4H3;5H2,1-4H3.
What are the key properties of 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione?
1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione has a molecular weight of 282.46 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-2H-imidazole;1,3,4,5-tetramethylimidazole-2-thione is sourced from PubChem (CID 160639617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).