4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione

C9H16N2S — CID 10352375

IUPAC4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione
SMILESCC(C)c1[nH]c(=S)[nH]c1C(C)C
InChIInChI=1S/C9H16N2S/c1-5(2)7-8(6(3)4)11-9(12)10-7/h5-6H,1-4H3,(H2,10,11,12)
InChIKeyRDVWPFIFVNKJCR-UHFFFAOYSA-N
MW184.31 g/mol
LogP3.32
Rot. Bonds2

About 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione

4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 10352375) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione
PubChem CID10352375
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione
SMILESCC(C)c1[nH]c(=S)[nH]c1C(C)C
InChIInChI=1S/C9H16N2S/c1-5(2)7-8(6(3)4)11-9(12)10-7/h5-6H,1-4H3,(H2,10,11,12)
InChIKeyRDVWPFIFVNKJCR-UHFFFAOYSA-N
XLogP3.32
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 53.32
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 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione (CID 10352375) is 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione is CC(C)c1[nH]c(=S)[nH]c1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is RDVWPFIFVNKJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5(2)7-8(6(3)4)11-9(12)10-7/h5-6H,1-4H3,(H2,10,11,12).
What are the key properties of 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione?
4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 184.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 10352375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).