A1AYD

N-(2,4-difluorophenyl)-N'-methylthiourea

Created:	2024-07-11
Last modified:	2025-03-26

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1 entries where A1AYD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of A1AYD

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Chemical Component Summary
Name	N-(2,4-difluorophenyl)-N'-methylthiourea
Systematic Name (OpenEye OEToolkits)	1-[2,4-bis(fluoranyl)phenyl]-3-methyl-thiourea
Formula	C₈ H₈ F₂ N₂ S
Molecular Weight	202.224
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C(Nc1ccc(F)cc1F)NC
SMILES	CACTVS	3.385	CNC(=S)Nc1ccc(F)cc1F
SMILES	OpenEye OEToolkits	2.0.7	CNC(=S)Nc1ccc(cc1F)F
Canonical SMILES	CACTVS	3.385	CNC(=S)Nc1ccc(F)cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC(=S)Nc1ccc(cc1F)F
InChI	InChI	1.06	InChI=1S/C8H8F2N2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKey	InChI	1.06	KZSZGGVUSFIQIN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2729992

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