A1CVA

N-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide

Created:	2025-09-23
Last modified:	2026-02-18

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1 entries where A1CVA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of A1CVA

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Chemical Component Summary
Name	N-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide
Systematic Name (OpenEye OEToolkits)	1-azanyl-3-[3-(trifluoromethyl)phenyl]thiourea
Formula	C₈ H₈ F₃ N₃ S
Molecular Weight	235.229
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	S=C(Nc1cc(ccc1)C(F)(F)F)NN
SMILES	CACTVS	3.385	NNC(=S)Nc1cccc(c1)C(F)(F)F
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)NC(=S)NN)C(F)(F)F
Canonical SMILES	CACTVS	3.385	NNC(=S)Nc1cccc(c1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)NC(=S)NN)C(F)(F)F
InChI	InChI	1.06	InChI=1S/C8H8F3N3S/c9-8(10,11)5-2-1-3-6(4-5)13-7(15)14-12/h1-4H,12H2,(H2,13,14,15)
InChIKey	InChI	1.06	KDDAUQBQXBHUPJ-UHFFFAOYSA-N

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.