3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione

C8H15NOS2 — CID 88742869

IUPAC3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCOC(CC)N1CCSC1=S
InChIInChI=1S/C8H15NOS2/c1-3-7(10-4-2)9-5-6-12-8(9)11/h7H,3-6H2,1-2H3
InChIKeyQUIKLKOTPOVJEV-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.09
Rot. Bonds4

About 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione

3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione (PubChem CID 88742869) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione
PubChem CID88742869
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCOC(CC)N1CCSC1=S
InChIInChI=1S/C8H15NOS2/c1-3-7(10-4-2)9-5-6-12-8(9)11/h7H,3-6H2,1-2H3
InChIKeyQUIKLKOTPOVJEV-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-ethoxypropyl)-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 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione (CID 88742869) is 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione is CCOC(CC)N1CCSC1=S.
What is the InChIKey of 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione?
The InChIKey is QUIKLKOTPOVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-3-7(10-4-2)9-5-6-12-8(9)11/h7H,3-6H2,1-2H3.
What are the key properties of 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione?
3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione has a molecular weight of 205.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88742869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).