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

C8H13NO3S2 — CID 88869518

IUPAC2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCOCCOCC(=O)N1CCSC1=S
InChIInChI=1S/C8H13NO3S2/c1-11-3-4-12-6-7(10)9-2-5-14-8(9)13/h2-6H2,1H3
InChIKeySHBMKXROIXSYJL-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.51
Rot. Bonds5

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

2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 88869518) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID88869518
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Name2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCOCCOCC(=O)N1CCSC1=S
InChIInChI=1S/C8H13NO3S2/c1-11-3-4-12-6-7(10)9-2-5-14-8(9)13/h2-6H2,1H3
InChIKeySHBMKXROIXSYJL-UHFFFAOYSA-N
XLogP0.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 88869518) is 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is COCCOCC(=O)N1CCSC1=S.
What is the InChIKey of 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is SHBMKXROIXSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-11-3-4-12-6-7(10)9-2-5-14-8(9)13/h2-6H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 88869518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).