3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

C8H8N2O2S4 — CID 23856537

IUPAC3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(C2SC(=S)N(C)C2=O)SC1=S
InChIInChI=1S/C8H8N2O2S4/c1-9-5(11)3(15-7(9)13)4-6(12)10(2)8(14)16-4/h3-4H,1-2H3
InChIKeyUGCHJOPAOQAHKP-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.70
Rot. Bonds1

About 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 23856537) has the molecular formula C8H8N2O2S4 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID23856537
Molecular FormulaC8H8N2O2S4
Molecular Weight292.43 g/mol
Exact Mass291.95
IUPAC Name3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(C2SC(=S)N(C)C2=O)SC1=S
InChIInChI=1S/C8H8N2O2S4/c1-9-5(11)3(15-7(9)13)4-6(12)10(2)8(14)16-4/h3-4H,1-2H3
InChIKeyUGCHJOPAOQAHKP-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 23856537) is 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is CN1C(=O)C(C2SC(=S)N(C)C2=O)SC1=S.
What is the InChIKey of 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is UGCHJOPAOQAHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S4/c1-9-5(11)3(15-7(9)13)4-6(12)10(2)8(14)16-4/h3-4H,1-2H3.
What are the key properties of 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 292.43 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 23856537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).