4-methylimidazolidine-2-thione

C4H8N2S — CID 2777312

IUPAC4-methylimidazolidine-2-thione
SMILESCC1CNC(=S)N1
InChIInChI=1S/C4H8N2S/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)
InChIKeyNGZJXCFNBVJLQN-UHFFFAOYSA-N
MW116.19 g/mol
LogP-0.15
Rot. Bonds

About 4-methylimidazolidine-2-thione

4-methylimidazolidine-2-thione (PubChem CID 2777312) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is 4-methylimidazolidine-2-thione.

Molecular Properties

Compound Name4-methylimidazolidine-2-thione
PubChem CID2777312
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name4-methylimidazolidine-2-thione
SMILESCC1CNC(=S)N1
InChIInChI=1S/C4H8N2S/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)
InChIKeyNGZJXCFNBVJLQN-UHFFFAOYSA-N
XLogP-0.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 5-0.15
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-methylimidazolidine-2-thione?
The IUPAC name of 4-methylimidazolidine-2-thione (CID 2777312) is 4-methylimidazolidine-2-thione.
What is the SMILES notation for 4-methylimidazolidine-2-thione?
The canonical SMILES for 4-methylimidazolidine-2-thione is CC1CNC(=S)N1.
What is the InChIKey of 4-methylimidazolidine-2-thione?
The InChIKey is NGZJXCFNBVJLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7).
What are the key properties of 4-methylimidazolidine-2-thione?
4-methylimidazolidine-2-thione has a molecular weight of 116.19 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylimidazolidine-2-thione is sourced from PubChem (CID 2777312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).