1-propan-2-ylimidazolidine-2-thione

C6H12N2S — CID 3037213

IUPAC1-propan-2-ylimidazolidine-2-thione
SMILESCC(C)N1CCNC1=S
InChIInChI=1S/C6H12N2S/c1-5(2)8-4-3-7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyGQEHSBNMBDRPNR-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.58
Rot. Bonds1

About 1-propan-2-ylimidazolidine-2-thione

1-propan-2-ylimidazolidine-2-thione (PubChem CID 3037213) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-propan-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-propan-2-ylimidazolidine-2-thione
PubChem CID3037213
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-propan-2-ylimidazolidine-2-thione
SMILESCC(C)N1CCNC1=S
InChIInChI=1S/C6H12N2S/c1-5(2)8-4-3-7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyGQEHSBNMBDRPNR-UHFFFAOYSA-N
XLogP0.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.58
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-propan-2-ylimidazolidine-2-thione?
The IUPAC name of 1-propan-2-ylimidazolidine-2-thione (CID 3037213) is 1-propan-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-propan-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-propan-2-ylimidazolidine-2-thione is CC(C)N1CCNC1=S.
What is the InChIKey of 1-propan-2-ylimidazolidine-2-thione?
The InChIKey is GQEHSBNMBDRPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5(2)8-4-3-7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 1-propan-2-ylimidazolidine-2-thione?
1-propan-2-ylimidazolidine-2-thione has a molecular weight of 144.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazolidine-2-thione is sourced from PubChem (CID 3037213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).