5-ethylidene-2-sulfanylideneimidazolidin-4-one

C5H6N2OS — CID 73179893

IUPAC5-ethylidene-2-sulfanylideneimidazolidin-4-one
SMILESCC=C1NC(=S)NC1=O
InChIInChI=1S/C5H6N2OS/c1-2-3-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKeyUFBLQHVTWWCZOS-UHFFFAOYSA-N
MW142.18 g/mol
LogP-0.11
Rot. Bonds

About 5-ethylidene-2-sulfanylideneimidazolidin-4-one

5-ethylidene-2-sulfanylideneimidazolidin-4-one (PubChem CID 73179893) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-ethylidene-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-ethylidene-2-sulfanylideneimidazolidin-4-one
PubChem CID73179893
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name5-ethylidene-2-sulfanylideneimidazolidin-4-one
SMILESCC=C1NC(=S)NC1=O
InChIInChI=1S/C5H6N2OS/c1-2-3-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKeyUFBLQHVTWWCZOS-UHFFFAOYSA-N
XLogP-0.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-ethylidene-2-sulfanylideneimidazolidin-4-one (CID 73179893) is 5-ethylidene-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-ethylidene-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-ethylidene-2-sulfanylideneimidazolidin-4-one is CC=C1NC(=S)NC1=O.
What is the InChIKey of 5-ethylidene-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UFBLQHVTWWCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-2-3-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 5-ethylidene-2-sulfanylideneimidazolidin-4-one?
5-ethylidene-2-sulfanylideneimidazolidin-4-one has a molecular weight of 142.18 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 73179893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).