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

C6H11NOS2 — CID 88741880

IUPAC3-(1-methoxyethyl)-1,3-thiazolidine-2-thione
SMILESCOC(C)N1CCSC1=S
InChIInChI=1S/C6H11NOS2/c1-5(8-2)7-3-4-10-6(7)9/h5H,3-4H2,1-2H3
InChIKeyJKMHJHLGZXLBTJ-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.31
Rot. Bonds2

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

3-(1-methoxyethyl)-1,3-thiazolidine-2-thione (PubChem CID 88741880) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(1-methoxyethyl)-1,3-thiazolidine-2-thione
PubChem CID88741880
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Name3-(1-methoxyethyl)-1,3-thiazolidine-2-thione
SMILESCOC(C)N1CCSC1=S
InChIInChI=1S/C6H11NOS2/c1-5(8-2)7-3-4-10-6(7)9/h5H,3-4H2,1-2H3
InChIKeyJKMHJHLGZXLBTJ-UHFFFAOYSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-methoxyethyl)-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-methoxyethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione (CID 88741880) is 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione is COC(C)N1CCSC1=S.
What is the InChIKey of 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione?
The InChIKey is JKMHJHLGZXLBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-5(8-2)7-3-4-10-6(7)9/h5H,3-4H2,1-2H3.
What are the key properties of 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione?
3-(1-methoxyethyl)-1,3-thiazolidine-2-thione has a molecular weight of 177.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88741880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).