(5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H12N2O2S4 — CID 6993309

IUPAC(5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)[C@H]([C@@H]2SC(=S)N(CC)C2=O)SC1=S
InChIInChI=1S/C10H12N2O2S4/c1-3-11-7(13)5(17-9(11)15)6-8(14)12(4-2)10(16)18-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyLSPWFIQGPMHETM-WDSKDSINSA-N
MW320.49 g/mol
LogP1.48
Rot. Bonds3

About (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one

(5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6993309) has the molecular formula C10H12N2O2S4 and a molecular weight of 320.49 g/mol. Its IUPAC name is (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6993309
Molecular FormulaC10H12N2O2S4
Molecular Weight320.49 g/mol
Exact Mass319.98
IUPAC Name(5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)[C@H]([C@@H]2SC(=S)N(CC)C2=O)SC1=S
InChIInChI=1S/C10H12N2O2S4/c1-3-11-7(13)5(17-9(11)15)6-8(14)12(4-2)10(16)18-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyLSPWFIQGPMHETM-WDSKDSINSA-N
XLogP1.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.48
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 (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6993309) is (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)[C@H]([C@@H]2SC(=S)N(CC)C2=O)SC1=S.
What is the InChIKey of (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is LSPWFIQGPMHETM-WDSKDSINSA-N. The full InChI is InChI=1S/C10H12N2O2S4/c1-3-11-7(13)5(17-9(11)15)6-8(14)12(4-2)10(16)18-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 320.49 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).