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

C5H9NS2 — CID 3034691

IUPAC4-ethyl-1,3-thiazolidine-2-thione
SMILESCCC1CSC(=S)N1
InChIInChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyUBKTWHKJHPIXFH-UHFFFAOYSA-N
MW147.27 g/mol
LogP1.39
Rot. Bonds1

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

4-ethyl-1,3-thiazolidine-2-thione (PubChem CID 3034691) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is 4-ethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-ethyl-1,3-thiazolidine-2-thione
PubChem CID3034691
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name4-ethyl-1,3-thiazolidine-2-thione
SMILESCCC1CSC(=S)N1
InChIInChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyUBKTWHKJHPIXFH-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-1,3-thiazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-ethyl-1,3-thiazolidine-2-thione (CID 3034691) is 4-ethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-ethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-ethyl-1,3-thiazolidine-2-thione is CCC1CSC(=S)N1.
What is the InChIKey of 4-ethyl-1,3-thiazolidine-2-thione?
The InChIKey is UBKTWHKJHPIXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of 4-ethyl-1,3-thiazolidine-2-thione?
4-ethyl-1,3-thiazolidine-2-thione has a molecular weight of 147.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 3034691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).