4,5-dipropyl-1,3-dihydroimidazole-2-thione

C9H16N2S — CID 10081096

IUPAC4,5-dipropyl-1,3-dihydroimidazole-2-thione
SMILESCCCc1[nH]c(=S)[nH]c1CCC
InChIInChI=1S/C9H16N2S/c1-3-5-7-8(6-4-2)11-9(12)10-7/h3-6H2,1-2H3,(H2,10,11,12)
InChIKeyGIJPDHWWYVBUMH-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.98
Rot. Bonds4

About 4,5-dipropyl-1,3-dihydroimidazole-2-thione

4,5-dipropyl-1,3-dihydroimidazole-2-thione (PubChem CID 10081096) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 4,5-dipropyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-dipropyl-1,3-dihydroimidazole-2-thione
PubChem CID10081096
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name4,5-dipropyl-1,3-dihydroimidazole-2-thione
SMILESCCCc1[nH]c(=S)[nH]c1CCC
InChIInChI=1S/C9H16N2S/c1-3-5-7-8(6-4-2)11-9(12)10-7/h3-6H2,1-2H3,(H2,10,11,12)
InChIKeyGIJPDHWWYVBUMH-UHFFFAOYSA-N
XLogP2.98
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-Dihydro-4-methyl-5-(2-methylpropyl)-2H-imidazole-2-thione
CID 4912832
4-(4-Aminobutyl)-5-methyl-1,3-dihydroimidazole-2-thione
CID 12769840
4,5-Dipentyl-1,3-dihydroimidazole-2-thione
CID 69452167
4,5-Diheptyl-1,3-dihydroimidazole-2-thione
CID 154178392
4-butyl-5-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 5200293
3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione
CID 10035638
4,5-Diethyl-1,3-dihydroimidazole-2-thione
CID 10057755
3-methyl-4,5-dipropyl-1H-imidazole-2-thione
CID 10262155
4,5-Di(propan-2-yl)-1,3-dihydroimidazole-2-thione
CID 10352375
3-ethyl-4,5-dipropyl-1H-imidazole-2-thione
CID 11820513
4-ethyl-5-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 15079009
4-Ethyl-5-propyl-1,3-dihydroimidazole-2-thione
CID 24839033

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-dipropyl-1,3-dihydroimidazole-2-thione (CID 10081096) is 4,5-dipropyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-dipropyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-dipropyl-1,3-dihydroimidazole-2-thione is CCCc1[nH]c(=S)[nH]c1CCC.
What is the InChIKey of 4,5-dipropyl-1,3-dihydroimidazole-2-thione?
The InChIKey is GIJPDHWWYVBUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-3-5-7-8(6-4-2)11-9(12)10-7/h3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 4,5-dipropyl-1,3-dihydroimidazole-2-thione?
4,5-dipropyl-1,3-dihydroimidazole-2-thione has a molecular weight of 184.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 10081096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).