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

C8H8N2O2S4 — CID 40559857

IUPAC(5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC([C@@H]1SC(=S)NC1=O)[C@@H]1SC(=S)NC1=O
InChIInChI=1S/C8H8N2O2S4/c1-2(3-5(11)9-7(13)15-3)4-6(12)10-8(14)16-4/h2-4H,1H3,(H,9,11,13)(H,10,12,14)/t3-,4-/m0/s1
InChIKeyCAXCSMMWQXAWSL-IMJSIDKUSA-N
MW292.43 g/mol
LogP0.66
Rot. Bonds2

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

(5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 40559857) has the molecular formula C8H8N2O2S4 and a molecular weight of 292.43 g/mol. Its IUPAC name is (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID40559857
Molecular FormulaC8H8N2O2S4
Molecular Weight292.43 g/mol
Exact Mass291.95
IUPAC Name(5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC([C@@H]1SC(=S)NC1=O)[C@@H]1SC(=S)NC1=O
InChIInChI=1S/C8H8N2O2S4/c1-2(3-5(11)9-7(13)15-3)4-6(12)10-8(14)16-4/h2-4H,1H3,(H,9,11,13)(H,10,12,14)/t3-,4-/m0/s1
InChIKeyCAXCSMMWQXAWSL-IMJSIDKUSA-N
XLogP0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
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

5-[2,2-bis(diethoxyphosphoryl)-1-phenylethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12032780
2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
CID 51385264
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 124632022
2-oxo-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 124632025
N-[2,6-di(propan-2-yl)phenyl]-2-oxo-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 98389969
5-[(2S)-pent-4-yn-2-yl]-1,3-thiazolidine-2,4-dione
CID 118187718
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 101057113
2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 173496185
(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 94189298
5-methyl-1,3-thiazolidine-2,4-dithione
CID 71323977

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 40559857) is (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one is CC([C@@H]1SC(=S)NC1=O)[C@@H]1SC(=S)NC1=O.
What is the InChIKey of (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CAXCSMMWQXAWSL-IMJSIDKUSA-N. The full InChI is InChI=1S/C8H8N2O2S4/c1-2(3-5(11)9-7(13)15-3)4-6(12)10-8(14)16-4/h2-4H,1H3,(H,9,11,13)(H,10,12,14)/t3-,4-/m0/s1.
What are the key properties of (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 292.43 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 40559857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).