YS6

1-pyridin-4-ylthiourea

Created:	2016-03-12
Last modified:	2016-03-30

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1 entries where YS6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of YS6

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Chemical Component Summary
Name	1-pyridin-4-ylthiourea
Systematic Name (OpenEye OEToolkits)	1-pyridin-4-ylthiourea
Formula	C₆ H₇ N₃ S
Molecular Weight	153.205
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=S)Nc1ccncc1
SMILES	OpenEye OEToolkits	1.7.6	c1cnccc1NC(=S)N
Canonical SMILES	CACTVS	3.385	NC(=S)Nc1ccncc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cnccc1NC(=S)N
InChI	InChI	1.03	InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)
InChIKey	InChI	1.03	HLOFIQOOOSRNFY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2737249, 305207

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.