TFM

S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA

Created:	2001-10-23
Last modified:	2011-06-04

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1 entries where TFM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

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Chemical Component Summary
Name	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA
Systematic Name (OpenEye OEToolkits)	1-ethylsulfanyl-N'-[4-(trifluoromethyl)phenyl]methanimidamide
Formula	C₁₀ H₁₁ F₃ N₂ S
Molecular Weight	248.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c1ccc(\N=C(/SCC)N)cc1
SMILES	CACTVS	3.341	CCSC(N)=Nc1ccc(cc1)C(F)(F)F
SMILES	OpenEye OEToolkits	1.5.0	CCSC(=Nc1ccc(cc1)C(F)(F)F)N
Canonical SMILES	CACTVS	3.341	CCSC(N)=Nc1ccc(cc1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCSC(=Nc1ccc(cc1)C(F)(F)F)N
InChI	InChI	1.03	InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
InChIKey	InChI	1.03	LCMOXIFARISMOH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02991
Name	S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea
Groups	experimental
Synonyms	S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase 1	MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682