IBZ

2-IODOBENZYLTHIO GROUP

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where IBZ is found as a standalone ligand1 entries where IBZ is covalently linked to polymer or other heterogen groups

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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 IBZ

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Chemical Component Summary
Name	2-IODOBENZYLTHIO GROUP
Systematic Name (OpenEye OEToolkits)	(2-iodophenyl)methanethiol
Formula	C₇ H₇ I S
Molecular Weight	250.1
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1ccccc1CS
SMILES	CACTVS	3.341	SCc1ccccc1I
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)CS)I
Canonical SMILES	CACTVS	3.341	SCc1ccccc1I
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)CS)I
InChI	InChI	1.03	InChI=1S/C7H7IS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey	InChI	1.03	KVYARXTXGITUCU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03630
Name	2-Iodobenzylthio Group
Groups	experimental
Synonyms	2-Iodobenzylthio Group

Related Resource References

Resource Name	Reference
PubChem	444808

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.