3,4,5-trimethyl-1H-imidazole-2-thione

C6H10N2S — CID 10057593

IUPAC3,4,5-trimethyl-1H-imidazole-2-thione
SMILESCc1[nH]c(=S)n(C)c1C
InChIInChI=1S/C6H10N2S/c1-4-5(2)8(3)6(9)7-4/h1-3H3,(H,7,9)
InChIKeyPERWAYOEWJEJNO-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.70
Rot. Bonds

About 3,4,5-trimethyl-1H-imidazole-2-thione

3,4,5-trimethyl-1H-imidazole-2-thione (PubChem CID 10057593) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3,4,5-trimethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3,4,5-trimethyl-1H-imidazole-2-thione
PubChem CID10057593
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3,4,5-trimethyl-1H-imidazole-2-thione
SMILESCc1[nH]c(=S)n(C)c1C
InChIInChI=1S/C6H10N2S/c1-4-5(2)8(3)6(9)7-4/h1-3H3,(H,7,9)
InChIKeyPERWAYOEWJEJNO-UHFFFAOYSA-N
XLogP1.70
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,4,5-trimethyl-1H-imidazole-2-thione?
The IUPAC name of 3,4,5-trimethyl-1H-imidazole-2-thione (CID 10057593) is 3,4,5-trimethyl-1H-imidazole-2-thione.
What is the SMILES notation for 3,4,5-trimethyl-1H-imidazole-2-thione?
The canonical SMILES for 3,4,5-trimethyl-1H-imidazole-2-thione is Cc1[nH]c(=S)n(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1H-imidazole-2-thione?
The InChIKey is PERWAYOEWJEJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4-5(2)8(3)6(9)7-4/h1-3H3,(H,7,9).
What are the key properties of 3,4,5-trimethyl-1H-imidazole-2-thione?
3,4,5-trimethyl-1H-imidazole-2-thione has a molecular weight of 142.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1H-imidazole-2-thione is sourced from PubChem (CID 10057593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).