WL0

3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid

Created:	2023-05-15
Last modified:	2023-06-14

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1 entries where WL0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of WL0

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Chemical Component Summary
Name	3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)	3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid
Formula	C₁₁ H₁₂ N₂ O₃ S₄
Molecular Weight	348.485
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O
SMILES	CACTVS	3.385	O[S](=O)(=O)CCCSC1=NN(C(=S)S1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2C(=S)SC(=N2)SCCCS(=O)(=O)O
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)CCCSC1=NN(C(=S)S1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2C(=S)SC(=N2)SCCCS(=O)(=O)O
InChI	InChI	1.06	InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)
InChIKey	InChI	1.06	RPZFQBBXJDLRSJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4430408

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.