4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione

C6H8N2S — CID 91598375

IUPAC4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
SMILESC/C=C/c1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H8N2S/c1-2-3-5-4-7-6(9)8-5/h2-4H,1H3,(H2,7,8,9)/b3-2+
InChIKeyXNAPEQMTUPEOMM-NSCUHMNNSA-N
MW140.21 g/mol
LogP2.11
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione

4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione (PubChem CID 91598375) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
PubChem CID91598375
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
SMILESC/C=C/c1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H8N2S/c1-2-3-5-4-7-6(9)8-5/h2-4H,1H3,(H2,7,8,9)/b3-2+
InChIKeyXNAPEQMTUPEOMM-NSCUHMNNSA-N
XLogP2.11
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.11
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

Imidazo(1,5-a)pyridine-3-thiol
CID 737312
4-methyl-1H-imidazole-2-thiol
CID 2759857
Dihydro-6-methyl-2(1H)-pyrimidinthion
CID 13134055
4-methyl-3-prop-2-enyl-1H-imidazole-2-thione
CID 135030229
2-methyl-1H-imidazo[1,2-a]pyridine-5-thione
CID 18936810
1-methyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966796
4,6-bis(methylamino)-1H-pyridine-2-thione
CID 53980737
5-(methylamino)-1H-pyridine-2-thione
CID 89045194
4-Methyl-1,3-dihydro-1,3-diazonine-2-thione
CID 89752233
4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole
CID 90243951
(5E)-5-[(Z)-3-aminoprop-2-enylidene]-1-methyl-4-methylideneimidazolidine-2-thione
CID 117957563
5-[(1Z)-buta-1,3-dienyl]-3-methyl-1H-imidazole-2-thione
CID 118121042

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione (CID 91598375) is 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione is C/C=C/c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is XNAPEQMTUPEOMM-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-3-5-4-7-6(9)8-5/h2-4H,1H3,(H2,7,8,9)/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 140.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 91598375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).