(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one

C10H8N2OS — CID 687302

IUPAC(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccccc1
InChIInChI=1S/C10H8N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+
InChIKeyYXMBDTHHYFCMKP-SOFGYWHQSA-N
MW204.25 g/mol
LogP1.03
Rot. Bonds1

About (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one

(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one (PubChem CID 687302) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one
PubChem CID687302
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccccc1
InChIInChI=1S/C10H8N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+
InChIKeyYXMBDTHHYFCMKP-SOFGYWHQSA-N
XLogP1.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.03
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 (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one (CID 687302) is (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YXMBDTHHYFCMKP-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+.
What are the key properties of (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one?
(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one has a molecular weight of 204.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 687302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).