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Details

Stereochemistry ACHIRAL
Molecular Formula C9H3F3N2S
Molecular Weight 228.194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)BENZONITRILE

SMILES

FC(F)(F)C1=C(C=CC(=C1)N=C=S)C#N

InChI

InChIKey=TYXKOMAQTWRDCR-UHFFFAOYSA-N
InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
ENZALUTAMIDE IMPURITY 2
Common Name English
BENZONITRILE, 4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80932097
Created by admin on Sat Dec 16 18:46:12 GMT 2023 , Edited by admin on Sat Dec 16 18:46:12 GMT 2023
PRIMARY
PUBCHEM
11615540
Created by admin on Sat Dec 16 18:46:12 GMT 2023 , Edited by admin on Sat Dec 16 18:46:12 GMT 2023
PRIMARY
CAS
143782-23-4
Created by admin on Sat Dec 16 18:46:12 GMT 2023 , Edited by admin on Sat Dec 16 18:46:12 GMT 2023
PRIMARY
FDA UNII
HP6388MX6K
Created by admin on Sat Dec 16 18:46:12 GMT 2023 , Edited by admin on Sat Dec 16 18:46:12 GMT 2023
PRIMARY
NIH
NCATS
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