BEW

1-hydroxy-2-sulfanylpyridinium

Created:	2010-03-11
Last modified:	2011-06-04

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3 entries where BEW is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	6

2D diagram of BEW

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Chemical Component Summary
Name	1-hydroxy-2-sulfanylpyridinium
Systematic Name (OpenEye OEToolkits)	1-hydroxypyridin-1-ium-2-thiol
Formula	C₅ H₆ N O S
Molecular Weight	128.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O[n+]1ccccc1S
SMILES	CACTVS	3.370	O[n+]1ccccc1S
SMILES	OpenEye OEToolkits	1.7.0	c1cc[n+](c(c1)S)O
Canonical SMILES	CACTVS	3.370	O[n+]1ccccc1S
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc[n+](c(c1)S)O
InChI	InChI	1.03	InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H/p+1
InChIKey	InChI	1.03	YBBJKCMMCRQZMA-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	506601, 101061652

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.