(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one

C6H9NOS3 — CID 129415860

IUPAC(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
SMILESCSCC[C@@H]1NC(=S)SC1=O
InChIInChI=1S/C6H9NOS3/c1-10-3-2-4-5(8)11-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyPIXGLEUHWMOMNF-BYPYZUCNSA-N
MW207.34 g/mol
LogP1.26
Rot. Bonds3

About (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one

(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one (PubChem CID 129415860) has the molecular formula C6H9NOS3 and a molecular weight of 207.34 g/mol. Its IUPAC name is (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
PubChem CID129415860
Molecular FormulaC6H9NOS3
Molecular Weight207.34 g/mol
Exact Mass206.98
IUPAC Name(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
SMILESCSCC[C@@H]1NC(=S)SC1=O
InChIInChI=1S/C6H9NOS3/c1-10-3-2-4-5(8)11-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyPIXGLEUHWMOMNF-BYPYZUCNSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one?
The IUPAC name of (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one (CID 129415860) is (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one.
What is the SMILES notation for (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one?
The canonical SMILES for (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one is CSCC[C@@H]1NC(=S)SC1=O.
What is the InChIKey of (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one?
The InChIKey is PIXGLEUHWMOMNF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NOS3/c1-10-3-2-4-5(8)11-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m0/s1.
What are the key properties of (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one?
(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one has a molecular weight of 207.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one is sourced from PubChem (CID 129415860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).