(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione

C12H9NO2S2 — CID 88657751

IUPAC(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C2\CCSc3ccccc32)S1
InChIInChI=1S/C12H9NO2S2/c14-11-10(17-12(15)13-11)8-5-6-16-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,13,14,15)/b10-8-
InChIKeyRVSRAEUMOCPZTC-NTMALXAHSA-N
MW263.34 g/mol
LogP2.88
Rot. Bonds

About (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione

(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 88657751) has the molecular formula C12H9NO2S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione
PubChem CID88657751
Molecular FormulaC12H9NO2S2
Molecular Weight263.34 g/mol
Exact Mass263.01
IUPAC Name(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C2\CCSc3ccccc32)S1
InChIInChI=1S/C12H9NO2S2/c14-11-10(17-12(15)13-11)8-5-6-16-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,13,14,15)/b10-8-
InChIKeyRVSRAEUMOCPZTC-NTMALXAHSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione (CID 88657751) is (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C2\CCSc3ccccc32)S1.
What is the InChIKey of (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is RVSRAEUMOCPZTC-NTMALXAHSA-N. The full InChI is InChI=1S/C12H9NO2S2/c14-11-10(17-12(15)13-11)8-5-6-16-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,13,14,15)/b10-8-.
What are the key properties of (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 263.34 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 88657751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).