TH7

2,4-dihydroxybenzenesulfenic acid

Created:	2009-12-22
Last modified:	2020-06-05

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1 entries where TH7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of TH7

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Chemical Component Summary
Name	2,4-dihydroxybenzenesulfenic acid
Synonyms	4-HYDROXYSULFANYLBENZENE-1,3-DIOL
Systematic Name (OpenEye OEToolkits)	4-hydroxysulfanylbenzene-1,3-diol
Formula	C₆ H₆ O₃ S
Molecular Weight	158.175
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	OSc1ccc(O)cc1O
SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(cc1O)O)SO
Canonical SMILES	CACTVS	3.352	OSc1ccc(O)cc1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(cc1O)O)SO
InChI	InChI	1.03	InChI=1S/C6H6O3S/c7-4-1-2-6(10-9)5(8)3-4/h1-3,7-9H
InChIKey	InChI	1.03	LJXFZIAMAZBGDO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46850857

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.