1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one

C7H10N4OS2 — CID 3268835

IUPAC1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=S)N1CCNC1=S
InChIInChI=1S/C7H10N4OS2/c12-5-8-1-3-10(5)7(14)11-4-2-9-6(11)13/h1-4H2,(H,8,12)(H,9,13)
InChIKeyOKKNLBHHAXQGKU-UHFFFAOYSA-N
MW230.32 g/mol
LogP-0.51
Rot. Bonds

About 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one

1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one (PubChem CID 3268835) has the molecular formula C7H10N4OS2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one
PubChem CID3268835
Molecular FormulaC7H10N4OS2
Molecular Weight230.32 g/mol
Exact Mass230.03
IUPAC Name1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=S)N1CCNC1=S
InChIInChI=1S/C7H10N4OS2/c12-5-8-1-3-10(5)7(14)11-4-2-9-6(11)13/h1-4H2,(H,8,12)(H,9,13)
InChIKeyOKKNLBHHAXQGKU-UHFFFAOYSA-N
XLogP-0.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one?
The IUPAC name of 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one (CID 3268835) is 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one is O=C1NCCN1C(=S)N1CCNC1=S.
What is the InChIKey of 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one?
The InChIKey is OKKNLBHHAXQGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS2/c12-5-8-1-3-10(5)7(14)11-4-2-9-6(11)13/h1-4H2,(H,8,12)(H,9,13).
What are the key properties of 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one?
1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one has a molecular weight of 230.32 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylideneimidazolidine-1-carbothioyl)imidazolidin-2-one is sourced from PubChem (CID 3268835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).