4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione

C8H14N2S — CID 4912832

IUPAC4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione
SMILESCc1[nH]c(=S)[nH]c1CC(C)C
InChIInChI=1S/C8H14N2S/c1-5(2)4-7-6(3)9-8(11)10-7/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeySWMKUDLMSPJJNA-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.58
Rot. Bonds2

About 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione

4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione (PubChem CID 4912832) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione
PubChem CID4912832
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione
SMILESCc1[nH]c(=S)[nH]c1CC(C)C
InChIInChI=1S/C8H14N2S/c1-5(2)4-7-6(3)9-8(11)10-7/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeySWMKUDLMSPJJNA-UHFFFAOYSA-N
XLogP2.58
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.58
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-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione (CID 4912832) is 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione is Cc1[nH]c(=S)[nH]c1CC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is SWMKUDLMSPJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5(2)4-7-6(3)9-8(11)10-7/h5H,4H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione?
4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 170.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 4912832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).