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

C9H17NOS2 — CID 88736842

IUPAC3-(1-propoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCCOC(CC)N1CCSC1=S
InChIInChI=1S/C9H17NOS2/c1-3-6-11-8(4-2)10-5-7-13-9(10)12/h8H,3-7H2,1-2H3
InChIKeyRXIWMCIQUBZFOZ-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.48
Rot. Bonds5

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

3-(1-propoxypropyl)-1,3-thiazolidine-2-thione (PubChem CID 88736842) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(1-propoxypropyl)-1,3-thiazolidine-2-thione
PubChem CID88736842
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC Name3-(1-propoxypropyl)-1,3-thiazolidine-2-thione
SMILESCCCOC(CC)N1CCSC1=S
InChIInChI=1S/C9H17NOS2/c1-3-6-11-8(4-2)10-5-7-13-9(10)12/h8H,3-7H2,1-2H3
InChIKeyRXIWMCIQUBZFOZ-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione (CID 88736842) is 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione is CCCOC(CC)N1CCSC1=S.
What is the InChIKey of 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione?
The InChIKey is RXIWMCIQUBZFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS2/c1-3-6-11-8(4-2)10-5-7-13-9(10)12/h8H,3-7H2,1-2H3.
What are the key properties of 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione?
3-(1-propoxypropyl)-1,3-thiazolidine-2-thione has a molecular weight of 219.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propoxypropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88736842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).