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CAS 306935-08-0

:

{[amino(imino)methyl]amino}[3,5-di(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane hydrate

Description:
The chemical substance known as "{[amino(imino)methyl]amino}[3,5-di(trifluoromethyl)phenyl]dioxo-lambda~6~-sulfane hydrate" with CAS number 306935-08-0 is a complex organic compound featuring multiple functional groups. It contains an amino group, which is indicative of its potential as a base and its ability to participate in hydrogen bonding. The presence of imino groups suggests that it may engage in tautomeric forms, influencing its reactivity and stability. The trifluoromethyl groups on the phenyl ring enhance the compound's lipophilicity and may affect its electronic properties, making it potentially useful in various chemical applications. The dioxo-lambda~6~-sulfane moiety indicates the presence of a sulfur atom in a higher oxidation state, contributing to its unique chemical behavior. As a hydrate, it also contains water molecules, which can influence its solubility and crystallization properties. Overall, this compound's intricate structure suggests potential applications in pharmaceuticals, agrochemicals, or materials science, although specific applications would depend on further research into its properties and behavior.
Formula:C9H9F6N3O3S
InChI:InChI=1/C9H7F6N3O2S.H2O/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)21(19,20)18-7(16)17;/h1-3H,(H4,16,17,18);1H2
InChI key:InChIKey=SDLNWIFQHKQCMG-UHFFFAOYSA-N
SMILES:S(NC(=N)N)(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1.O
Synonyms:
  • Benzenesulfonamide, N-(aminoiminomethyl)-3,5-bis(trifluoromethyl)-, monohydrate
  • N-(diaminomethylidene)-3,5-bis(trifluoromethyl)benzenesulfonamide hydrate
  • ([AMINO(IMINO)METHYL]AMINO)[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIOXO-LAMBDA6-SULFANE HYDRATE
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