4-tert-butyl-1,3-dihydroimidazole-2-thione

C7H12N2S — CID 4204542

IUPAC4-tert-butyl-1,3-dihydroimidazole-2-thione
SMILESCC(C)(C)c1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H12N2S/c1-7(2,3)5-4-8-6(10)9-5/h4H,1-3H3,(H2,8,9,10)
InChIKeyRYVMCZAPKGDMCV-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.37
Rot. Bonds

About 4-tert-butyl-1,3-dihydroimidazole-2-thione

4-tert-butyl-1,3-dihydroimidazole-2-thione (PubChem CID 4204542) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-tert-butyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-tert-butyl-1,3-dihydroimidazole-2-thione
PubChem CID4204542
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-tert-butyl-1,3-dihydroimidazole-2-thione
SMILESCC(C)(C)c1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H12N2S/c1-7(2,3)5-4-8-6(10)9-5/h4H,1-3H3,(H2,8,9,10)
InChIKeyRYVMCZAPKGDMCV-UHFFFAOYSA-N
XLogP2.37
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 4-tert-butyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-tert-butyl-1,3-dihydroimidazole-2-thione (CID 4204542) is 4-tert-butyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-tert-butyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-tert-butyl-1,3-dihydroimidazole-2-thione is CC(C)(C)c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-tert-butyl-1,3-dihydroimidazole-2-thione?
The InChIKey is RYVMCZAPKGDMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2,3)5-4-8-6(10)9-5/h4H,1-3H3,(H2,8,9,10).
What are the key properties of 4-tert-butyl-1,3-dihydroimidazole-2-thione?
4-tert-butyl-1,3-dihydroimidazole-2-thione has a molecular weight of 156.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 4204542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).