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

C13H9NO3S2 — CID 18945506

IUPAC4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(S(=O)c2ccc3ccccc3c2)C(=O)S1
InChIInChI=1S/C13H9NO3S2/c15-12-11(14-13(16)18-12)19(17)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,(H,14,16)
InChIKeyCCHMMYJWKMSZHO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.26
Rot. Bonds2

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

4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione (PubChem CID 18945506) has the molecular formula C13H9NO3S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione
PubChem CID18945506
Molecular FormulaC13H9NO3S2
Molecular Weight291.35 g/mol
Exact Mass291.00
IUPAC Name4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(S(=O)c2ccc3ccccc3c2)C(=O)S1
InChIInChI=1S/C13H9NO3S2/c15-12-11(14-13(16)18-12)19(17)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,(H,14,16)
InChIKeyCCHMMYJWKMSZHO-UHFFFAOYSA-N
XLogP2.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.26
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-ylsulfinyl-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione (CID 18945506) is 4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione is O=C1NC(S(=O)c2ccc3ccccc3c2)C(=O)S1.
What is the InChIKey of 4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione?
The InChIKey is CCHMMYJWKMSZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S2/c15-12-11(14-13(16)18-12)19(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-ylsulfinyl-1,3-thiazolidine-2,5-dione?
4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 18945506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).