1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

C5H7NOS2 — CID 11789521

IUPAC1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1=S
InChIInChI=1S/C5H7NOS2/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKeyBMOBFBQWISCVKX-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.87
Rot. Bonds

About 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 11789521) has the molecular formula C5H7NOS2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID11789521
Molecular FormulaC5H7NOS2
Molecular Weight161.25 g/mol
Exact Mass161.00
IUPAC Name1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1=S
InChIInChI=1S/C5H7NOS2/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKeyBMOBFBQWISCVKX-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 11789521) is 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is CC(=O)N1CCSC1=S.
What is the InChIKey of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is BMOBFBQWISCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS2/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3.
What are the key properties of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 161.25 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 11789521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).