8P4

1-(4-fluorophenyl)thiourea

Created:	2017-02-24
Last modified:	2017-03-15

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3 entries where 8P4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 8P4

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Chemical Component Summary
Name	1-(4-fluorophenyl)thiourea
Systematic Name (OpenEye OEToolkits)	1-(4-fluorophenyl)thiourea
Formula	C₇ H₇ F N₂ S
Molecular Weight	170.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=S)Nc1ccc(F)cc1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=S)N)F
Canonical SMILES	CACTVS	3.385	NC(=S)Nc1ccc(F)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=S)N)F
InChI	InChI	1.03	InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey	InChI	1.03	BRWKXKNZRVALNZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	574186, 693061
CCDC/CSD	QUYKIF, VIHKUU
COD	2226620

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.