1-butylimidazolidine-2-thione

C7H14N2S — CID 3034160

IUPAC1-butylimidazolidine-2-thione
SMILESCCCCN1CCNC1=S
InChIInChI=1S/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10)
InChIKeyCUKQFZDGLCFERQ-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.98
Rot. Bonds3

About 1-butylimidazolidine-2-thione

1-butylimidazolidine-2-thione (PubChem CID 3034160) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-butylimidazolidine-2-thione.

Molecular Properties

Compound Name1-butylimidazolidine-2-thione
PubChem CID3034160
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-butylimidazolidine-2-thione
SMILESCCCCN1CCNC1=S
InChIInChI=1S/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10)
InChIKeyCUKQFZDGLCFERQ-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
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 1-butylimidazolidine-2-thione?
The IUPAC name of 1-butylimidazolidine-2-thione (CID 3034160) is 1-butylimidazolidine-2-thione.
What is the SMILES notation for 1-butylimidazolidine-2-thione?
The canonical SMILES for 1-butylimidazolidine-2-thione is CCCCN1CCNC1=S.
What is the InChIKey of 1-butylimidazolidine-2-thione?
The InChIKey is CUKQFZDGLCFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10).
What are the key properties of 1-butylimidazolidine-2-thione?
1-butylimidazolidine-2-thione has a molecular weight of 158.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylimidazolidine-2-thione is sourced from PubChem (CID 3034160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).