3-ethyl-1,3-thiazolidine-2,4-dithione

C5H7NS3 — CID 20617898

IUPAC3-ethyl-1,3-thiazolidine-2,4-dithione
SMILESCCN1C(=S)CSC1=S
InChIInChI=1S/C5H7NS3/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
InChIKeyFQLWBCXIWXEUBG-UHFFFAOYSA-N
MW177.32 g/mol
LogP1.67
Rot. Bonds1

About 3-ethyl-1,3-thiazolidine-2,4-dithione

3-ethyl-1,3-thiazolidine-2,4-dithione (PubChem CID 20617898) has the molecular formula C5H7NS3 and a molecular weight of 177.32 g/mol. Its IUPAC name is 3-ethyl-1,3-thiazolidine-2,4-dithione.

Molecular Properties

Compound Name3-ethyl-1,3-thiazolidine-2,4-dithione
PubChem CID20617898
Molecular FormulaC5H7NS3
Molecular Weight177.32 g/mol
Exact Mass176.97
IUPAC Name3-ethyl-1,3-thiazolidine-2,4-dithione
SMILESCCN1C(=S)CSC1=S
InChIInChI=1S/C5H7NS3/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
InChIKeyFQLWBCXIWXEUBG-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.32
LogP ≤ 51.67
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 3-ethyl-1,3-thiazolidine-2,4-dithione?
The IUPAC name of 3-ethyl-1,3-thiazolidine-2,4-dithione (CID 20617898) is 3-ethyl-1,3-thiazolidine-2,4-dithione.
What is the SMILES notation for 3-ethyl-1,3-thiazolidine-2,4-dithione?
The canonical SMILES for 3-ethyl-1,3-thiazolidine-2,4-dithione is CCN1C(=S)CSC1=S.
What is the InChIKey of 3-ethyl-1,3-thiazolidine-2,4-dithione?
The InChIKey is FQLWBCXIWXEUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS3/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3.
What are the key properties of 3-ethyl-1,3-thiazolidine-2,4-dithione?
3-ethyl-1,3-thiazolidine-2,4-dithione has a molecular weight of 177.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-thiazolidine-2,4-dithione is sourced from PubChem (CID 20617898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).