WHM

2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

Created:	2020-10-30
Last modified:	2020-11-11

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2 entries where WHM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of WHM

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Chemical Component Summary
Name	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
Systematic Name (OpenEye OEToolkits)	2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
Formula	C₁₀ H₁₂ F N O₂ S
Molecular Weight	229.271
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(CN1CCCS1(=O)=O)cccc(c2)F
SMILES	CACTVS	3.385	Fc1cccc(CN2CCC[S]2(=O)=O)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)F)CN2CCCS2(=O)=O
Canonical SMILES	CACTVS	3.385	Fc1cccc(CN2CCC[S]2(=O)=O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)F)CN2CCCS2(=O)=O
InChI	InChI	1.03	InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
InChIKey	InChI	1.03	RVDJKNWVTKGWCE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	60523291

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.