(5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one

C12H14N2OS2 — CID 7986481

IUPAC(5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCSC[C@@H]1NC(=S)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C12H14N2OS2/c1-8-3-5-9(6-4-8)14-11(15)10(7-17-2)13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyIOIVLBZDAAGTPX-JTQLQIEISA-N
MW266.39 g/mol
LogP1.95
Rot. Bonds3

About (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one

(5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 7986481) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID7986481
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name(5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCSC[C@@H]1NC(=S)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C12H14N2OS2/c1-8-3-5-9(6-4-8)14-11(15)10(7-17-2)13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyIOIVLBZDAAGTPX-JTQLQIEISA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 7986481) is (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one is CSC[C@@H]1NC(=S)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IOIVLBZDAAGTPX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-3-5-9(6-4-8)14-11(15)10(7-17-2)13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one?
(5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 266.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methylphenyl)-5-(methylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 7986481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).