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

C10H12N2O2S4 — CID 6993310

IUPAC(5S)-3-ethyl-5-[(5S)-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-/m1/s1
InChIKeyLSPWFIQGPMHETM-PHDIDXHHSA-N
MW320.49 g/mol
LogP1.48
Rot. Bonds3

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

(5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6993310) has the molecular formula C10H12N2O2S4 and a molecular weight of 320.49 g/mol. Its IUPAC name is (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6993310
Molecular FormulaC10H12N2O2S4
Molecular Weight320.49 g/mol
Exact Mass319.98
IUPAC Name(5S)-3-ethyl-5-[(5S)-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-/m1/s1
InChIKeyLSPWFIQGPMHETM-PHDIDXHHSA-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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Related Compounds

2-Succinimidoethyl 1-pyrrolidinecarbodithioate
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Bas 00531484
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3-Methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23856537
[1-[3-(3-Methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
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1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate
CID 102442170
1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate
CID 102442172
1-(2-Oxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate
CID 102442174
3,3'-Disulfanediylbis[1-(2-thioxothiazolidin-3-yl)propan-1-one]
CID 134817414
5-(4-Oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139237266
3-Butyl-5-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139237267
1-Ethyl-3-[2-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylethylsulfanyl]pyrrolidine-2,5-dione
CID 270416

Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6993310) is (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-3-ethyl-5-[(5S)-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 (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is LSPWFIQGPMHETM-PHDIDXHHSA-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-/m1/s1.
What are the key properties of (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5S)-3-ethyl-5-[(5S)-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 (5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6993310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).