1-ethenylimidazolidine-2-thione

C5H8N2S — CID 19811067

IUPAC1-ethenylimidazolidine-2-thione
SMILESC=CN1CCNC1=S
InChIInChI=1S/C5H8N2S/c1-2-7-4-3-6-5(7)8/h2H,1,3-4H2,(H,6,8)
InChIKeyFHLVPGOKUBHUEO-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.32
Rot. Bonds1

About 1-ethenylimidazolidine-2-thione

1-ethenylimidazolidine-2-thione (PubChem CID 19811067) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 1-ethenylimidazolidine-2-thione.

Molecular Properties

Compound Name1-ethenylimidazolidine-2-thione
PubChem CID19811067
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name1-ethenylimidazolidine-2-thione
SMILESC=CN1CCNC1=S
InChIInChI=1S/C5H8N2S/c1-2-7-4-3-6-5(7)8/h2H,1,3-4H2,(H,6,8)
InChIKeyFHLVPGOKUBHUEO-UHFFFAOYSA-N
XLogP0.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1H-imidazole-2-thiol
CID 12503264
Imidazole-2-thiol, 1-(dimethylaminoethyl)-, hydrochloride
CID 3053436
2H-Imidazole-2-thione, 1-[2-(dimethylamino)ethyl]-1,3-dihydro-
CID 3053437
1,3-Divinylimidazolidine-2-thione
CID 129813671
1-Ethenylimidazolidine
CID 6850839
1-[2-(Ethylamino)ethyl]-3-methylimidazole-2-thione
CID 53812452
N-ethenylimidazolidin-2-amine
CID 66735381
2-Imidazolidin-1-ylethenamine
CID 66735382
1-Ethenyl-1-methylimidazolidin-1-ium
CID 66777226
1-Ethenylimidazolidine;hydrochloride
CID 69272470
3-[2-(methylamino)ethyl]-1H-imidazole-2-thione
CID 86136994
1-Vinyl-3-methylimidazolinium
CID 86756133

Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazolidine-2-thione?
The IUPAC name of 1-ethenylimidazolidine-2-thione (CID 19811067) is 1-ethenylimidazolidine-2-thione.
What is the SMILES notation for 1-ethenylimidazolidine-2-thione?
The canonical SMILES for 1-ethenylimidazolidine-2-thione is C=CN1CCNC1=S.
What is the InChIKey of 1-ethenylimidazolidine-2-thione?
The InChIKey is FHLVPGOKUBHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-2-7-4-3-6-5(7)8/h2H,1,3-4H2,(H,6,8).
What are the key properties of 1-ethenylimidazolidine-2-thione?
1-ethenylimidazolidine-2-thione has a molecular weight of 128.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazolidine-2-thione is sourced from PubChem (CID 19811067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).