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

C9H17NOS2 — CID 88797447

IUPAC3-(3-propoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCCOCCCN1CCSC1=S
InChIInChI=1S/C9H17NOS2/c1-2-6-11-7-3-4-10-5-8-13-9(10)12/h2-8H2,1H3
InChIKeyUKEOYIZEQCFLIQ-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.14
Rot. Bonds6

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

3-(3-propoxypropyl)-1,3-thiazolidine-2-thione (PubChem CID 88797447) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(3-propoxypropyl)-1,3-thiazolidine-2-thione
PubChem CID88797447
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC Name3-(3-propoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCCOCCCN1CCSC1=S
InChIInChI=1S/C9H17NOS2/c1-2-6-11-7-3-4-10-5-8-13-9(10)12/h2-8H2,1H3
InChIKeyUKEOYIZEQCFLIQ-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione (CID 88797447) is 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione is CCCOCCCN1CCSC1=S.
What is the InChIKey of 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione?
The InChIKey is UKEOYIZEQCFLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS2/c1-2-6-11-7-3-4-10-5-8-13-9(10)12/h2-8H2,1H3.
What are the key properties of 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione?
3-(3-propoxypropyl)-1,3-thiazolidine-2-thione has a molecular weight of 219.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88797447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).