4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione

C8H12N2S — CID 135294693

IUPAC4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
SMILESC/C=C\c1[nH]c(=S)[nH]c1CC
InChIInChI=1S/C8H12N2S/c1-3-5-7-6(4-2)9-8(11)10-7/h3,5H,4H2,1-2H3,(H2,9,10,11)/b5-3-
InChIKeyNAGWFNGVLHQNOZ-HYXAFXHYSA-N
MW168.27 g/mol
LogP2.67
Rot. Bonds2

About 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione

4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione (PubChem CID 135294693) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
PubChem CID135294693
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
SMILESC/C=C\c1[nH]c(=S)[nH]c1CC
InChIInChI=1S/C8H12N2S/c1-3-5-7-6(4-2)9-8(11)10-7/h3,5H,4H2,1-2H3,(H2,9,10,11)/b5-3-
InChIKeyNAGWFNGVLHQNOZ-HYXAFXHYSA-N
XLogP2.67
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.67
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-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione (CID 135294693) is 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione is C/C=C\c1[nH]c(=S)[nH]c1CC.
What is the InChIKey of 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is NAGWFNGVLHQNOZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-5-7-6(4-2)9-8(11)10-7/h3,5H,4H2,1-2H3,(H2,9,10,11)/b5-3-.
What are the key properties of 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione?
4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 168.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 135294693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).