3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione

C6H8ClNO3S — CID 3784847

IUPAC3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CC(O)CCl
InChIInChI=1S/C6H8ClNO3S/c7-1-4(9)2-8-5(10)3-12-6(8)11/h4,9H,1-3H2
InChIKeyKGECTDNDMNRUGB-UHFFFAOYSA-N
MW209.65 g/mol
LogP0.28
Rot. Bonds3

About 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione

3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 3784847) has the molecular formula C6H8ClNO3S and a molecular weight of 209.65 g/mol. Its IUPAC name is 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
PubChem CID3784847
Molecular FormulaC6H8ClNO3S
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Name3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CC(O)CCl
InChIInChI=1S/C6H8ClNO3S/c7-1-4(9)2-8-5(10)3-12-6(8)11/h4,9H,1-3H2
InChIKeyKGECTDNDMNRUGB-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione (CID 3784847) is 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CC(O)CCl.
What is the InChIKey of 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is KGECTDNDMNRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO3S/c7-1-4(9)2-8-5(10)3-12-6(8)11/h4,9H,1-3H2.
What are the key properties of 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 209.65 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3784847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).