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

C7H13NOS2 — CID 88738462

IUPAC3-(1-methoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCC(OC)N1CCSC1=S
InChIInChI=1S/C7H13NOS2/c1-3-6(9-2)8-4-5-11-7(8)10/h6H,3-5H2,1-2H3
InChIKeyLCWSYKOUAHYDJP-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.70
Rot. Bonds3

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

3-(1-methoxypropyl)-1,3-thiazolidine-2-thione (PubChem CID 88738462) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(1-methoxypropyl)-1,3-thiazolidine-2-thione
PubChem CID88738462
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name3-(1-methoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCC(OC)N1CCSC1=S
InChIInChI=1S/C7H13NOS2/c1-3-6(9-2)8-4-5-11-7(8)10/h6H,3-5H2,1-2H3
InChIKeyLCWSYKOUAHYDJP-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-methoxypropyl)-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

Related Compounds

3-(3-Methoxypropyl)-1,3-thiazolidine-2-thione
CID 21324742
3-(3-Ethoxypropyl)-1,3-thiazolidine-2-thione
CID 21324744
3-(2-Methoxyethyl)-1,3-thiazolidine-2-thione
CID 21324805
3-(2-Ethoxyethyl)-1,3-thiazolidine-2-thione
CID 21324810
1-methoxyethyl N,N-dibutylcarbamodithioate
CID 22410967
2-Hydroxyethyl pyrrolidine-1-carbodithioate
CID 71677633
3-(1-Propoxypropyl)-1,3-thiazolidine-2-thione
CID 88736842
3-(1-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 88738214
3-(1-Propoxyethyl)-1,3-thiazolidine-2-thione
CID 88741733
3-(1-Hydroxyethyl)-1,3-thiazolidine-2-thione
CID 88741845
3-(1-Methoxyethyl)-1,3-thiazolidine-2-thione
CID 88741880
3-(1-Ethoxypropyl)-1,3-thiazolidine-2-thione
CID 88742869

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione (CID 88738462) is 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione is CCC(OC)N1CCSC1=S.
What is the InChIKey of 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione?
The InChIKey is LCWSYKOUAHYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-3-6(9-2)8-4-5-11-7(8)10/h6H,3-5H2,1-2H3.
What are the key properties of 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione?
3-(1-methoxypropyl)-1,3-thiazolidine-2-thione has a molecular weight of 191.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88738462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).