Thiocoumarins

Thiocoumarins
	Thiocoumarin (thiochromen-2-one)
	2-Thioxocoumarin (2H-1-benzopyran-2-thione)
	Dithiocoumarin (2H-1-benzothiopyran-2-thione)
Identifiers
CAS Number	Thiochromen-2-one: 1075-14-5; 2H-1-Benzopyran-2-thione: 3986-98-9; 2H-1-benzothiopyran-2-thione: 2054-33-3;
3D model (JSmol)	Thiochromen-2-one: Interactive image; 2H-1-Benzopyran-2-thione: Interactive image; 2H-1-benzothiopyran-2-thione: Interactive image;
ChEMBL	Thiochromen-2-one: ChEMBL3760092; 2H-1-Benzopyran-2-thione: ChEMBL3759409; 2H-1-benzothiopyran-2-thione: ChEMBL3759932;
ChemSpider	Thiochromen-2-one: 9129055; 2H-1-Benzopyran-2-thione: 18736; 2H-1-benzothiopyran-2-thione: 555973;
PubChem CID	Thiochromen-2-one: 10953838; 2H-1-Benzopyran-2-thione: 19890; 2H-1-benzothiopyran-2-thione: 640625;
CompTox Dashboard (EPA)	Thiochromen-2-one: DTXSID90449545; 2H-1-Benzopyran-2-thione: DTXSID20192911; 2H-1-benzothiopyran-2-thione: DTXSID30348780;
	InChI Thiochromen-2-one: InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H Key: MDYPJPPXVOPUNX-UHFFFAOYSA-N; 2H-1-Benzopyran-2-thione: InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H Key: FRZDLTCXOSFHJC-UHFFFAOYSA-N; 2H-1-benzothiopyran-2-thione: InChI=1S/C9H6S2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H Key: ZOVFLKOKOZVLQC-UHFFFAOYSA-N;
	SMILES Thiochromen-2-one: C1=CC=C2C(=C1)C=CC(=O)S2; 2H-1-Benzopyran-2-thione: C1=CC=C2C(=C1)C=CC(=S)O2; 2H-1-benzothiopyran-2-thione: C1=CC=C2C(=C1)C=CC(=S)S2;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Thiocoumarins are a class of coumarins where one or both of the oxygen atoms are replaced by sulfur.^[1]

References

↑ Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio; Borges, Fernanda (July 31, 2022). "Thiocoumarins: From the Synthesis to the Biological Applications". Molecules. 27 (15): 4901. doi:10.3390/molecules27154901. ISSN 1420-3049. PMC 9369797. PMID 35956851.

[1] Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio; Borges, Fernanda (July 31, 2022). "Thiocoumarins: From the Synthesis to the Biological Applications". Molecules. 27 (15): 4901. doi:10.3390/molecules27154901. ISSN 1420-3049. PMC 9369797. PMID 35956851.

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