(4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione

C8H12N2S — CID 144772283

IUPAC(4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione
SMILESC/C=C\C=C1\NC(=S)NC1C
InChIInChI=1S/C8H12N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h3-6H,1-2H3,(H2,9,10,11)/b4-3-,7-5+
InChIKeySOFBFVJMJGWYJA-QVXLNCAUSA-N
MW168.26 g/mol
LogP1.31
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione

(4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione (PubChem CID 144772283) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione
PubChem CID144772283
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione
SMILESC/C=C\C=C1\NC(=S)NC1C
InChIInChI=1S/C8H12N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h3-6H,1-2H3,(H2,9,10,11)/b4-3-,7-5+
InChIKeySOFBFVJMJGWYJA-QVXLNCAUSA-N
XLogP1.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.31
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 (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione (CID 144772283) is (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione is C/C=C\C=C1\NC(=S)NC1C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione?
The InChIKey is SOFBFVJMJGWYJA-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h3-6H,1-2H3,(H2,9,10,11)/b4-3-,7-5+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione?
(4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione has a molecular weight of 168.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-5-methylimidazolidine-2-thione is sourced from PubChem (CID 144772283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).