4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione

C13H9NO2S2 — CID 19986175

IUPAC4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Sc2ccc3ccccc3c2)C(=O)S1
InChIInChI=1S/C13H9NO2S2/c15-12-11(14-13(16)18-12)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,(H,14,16)
InChIKeyBBFXHNOSMJUYBR-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.24
Rot. Bonds2

About 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione

4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione (PubChem CID 19986175) has the molecular formula C13H9NO2S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione
PubChem CID19986175
Molecular FormulaC13H9NO2S2
Molecular Weight275.35 g/mol
Exact Mass275.01
IUPAC Name4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Sc2ccc3ccccc3c2)C(=O)S1
InChIInChI=1S/C13H9NO2S2/c15-12-11(14-13(16)18-12)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,(H,14,16)
InChIKeyBBFXHNOSMJUYBR-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione (CID 19986175) is 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione is O=C1NC(Sc2ccc3ccccc3c2)C(=O)S1.
What is the InChIKey of 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione?
The InChIKey is BBFXHNOSMJUYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S2/c15-12-11(14-13(16)18-12)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,(H,14,16).
What are the key properties of 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione?
4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 19986175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).