3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione

C5H7NO2S3 — CID 146369170

IUPAC3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCSS
InChIInChI=1S/C5H7NO2S3/c7-4-3-10-5(8)6(4)1-2-11-9/h9H,1-3H2
InChIKeyKFBCPJGCGSWGJN-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.26
Rot. Bonds3

About 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione

3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 146369170) has the molecular formula C5H7NO2S3 and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID146369170
Molecular FormulaC5H7NO2S3
Molecular Weight209.32 g/mol
Exact Mass208.96
IUPAC Name3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCSS
InChIInChI=1S/C5H7NO2S3/c7-4-3-10-5(8)6(4)1-2-11-9/h9H,1-3H2
InChIKeyKFBCPJGCGSWGJN-UHFFFAOYSA-N
XLogP1.26
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Ethylrhodanine
CID 82098
3-Methyl-1,3-thiazolidine-2,4-dione
CID 1282062
3-(2-Bromoethyl)thiazolidine-2,4-dione
CID 16392506
3-Ethyl-2,4-thiazolidinedione
CID 5168051
2-(Methylsulfanyl)-1-(1,3-thiazolidin-3-yl)ethan-1-one
CID 127015662
1-(2-Sulfanylidene-1,3-thiazolidin-3-yl)ethan-1-one
CID 11789521
3-(2-Fluoroethyl)-1,3-thiazolidine-2,4-dione
CID 126990912
3-(2,2,2-Trifluoroethyl)-1,3-thiazolidine-2,4-dione
CID 130667364
1-(Thiazolidin-3-yl)ethanone
CID 83868
2-Thiazolidinone, 3-acetyl-
CID 3539492
3-Butyl-1,3-thiazolidine-2,4-dione
CID 12220070
3-Propyl-1,3-thiazolidine-2,4-dione
CID 12572929

Frequently Asked Questions

What is the IUPAC name of 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione (CID 146369170) is 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCSS.
What is the InChIKey of 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is KFBCPJGCGSWGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S3/c7-4-3-10-5(8)6(4)1-2-11-9/h9H,1-3H2.
What are the key properties of 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 209.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(disulfanyl)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 146369170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).