1-methyl-2-propan-2-yl-4H-imidazole-5-thione

C7H12N2S — CID 159062890

IUPAC1-methyl-2-propan-2-yl-4H-imidazole-5-thione
SMILESCC(C)C1=NCC(=S)N1C
InChIInChI=1S/C7H12N2S/c1-5(2)7-8-4-6(10)9(7)3/h5H,4H2,1-3H3
InChIKeyJOUNKZSPZMBKMV-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.31
Rot. Bonds1

About 1-methyl-2-propan-2-yl-4H-imidazole-5-thione

1-methyl-2-propan-2-yl-4H-imidazole-5-thione (PubChem CID 159062890) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-4H-imidazole-5-thione.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-4H-imidazole-5-thione
PubChem CID159062890
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-methyl-2-propan-2-yl-4H-imidazole-5-thione
SMILESCC(C)C1=NCC(=S)N1C
InChIInChI=1S/C7H12N2S/c1-5(2)7-8-4-6(10)9(7)3/h5H,4H2,1-3H3
InChIKeyJOUNKZSPZMBKMV-UHFFFAOYSA-N
XLogP1.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
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 1-methyl-2-propan-2-yl-4H-imidazole-5-thione?
The IUPAC name of 1-methyl-2-propan-2-yl-4H-imidazole-5-thione (CID 159062890) is 1-methyl-2-propan-2-yl-4H-imidazole-5-thione.
What is the SMILES notation for 1-methyl-2-propan-2-yl-4H-imidazole-5-thione?
The canonical SMILES for 1-methyl-2-propan-2-yl-4H-imidazole-5-thione is CC(C)C1=NCC(=S)N1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-4H-imidazole-5-thione?
The InChIKey is JOUNKZSPZMBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)7-8-4-6(10)9(7)3/h5H,4H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-4H-imidazole-5-thione?
1-methyl-2-propan-2-yl-4H-imidazole-5-thione has a molecular weight of 156.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-4H-imidazole-5-thione is sourced from PubChem (CID 159062890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).