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Home> Hot Product Listed T   > T6666887
37893-02-0 structure

T6666887

Iupac Name:2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine
CAS No.:37893-02-0
Molecular Weight:416.345
Molecular Formula:C11H17N3O2S (isomer)
Names and Identifiers
Synonyms

5-ethyl-1-(6-methoxypyridazin-3-yl)-n-{[2-(1h-1,2,4-triazol-1-yl)pyridin-3-yl]methyl}-1h-pyrazole-4-carboxamide MCULE-1171639665 MOLPORT-009-056-806 Z423957616 ZINC47122314

Inchi
InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15?,25-13+,26-14-
InChkey
IZFZCMFMJKDHJZ-QYJGRCFESA-N
Canonical Smiles
C1=CC=C(C=C1)N=C2N(C(=NC(F)(F)F)C(=NC(F)(F)F)S2)C3=CC=CC=C3
Isomers Smiles
C1=CC=C(C=C1)N=C2N(/C(=N\C(F)(F)F)/C(=N\C(F)(F)F)/S2)C3=CC=CC=C3
Properties
Melting Point
260°C
Refractive Index
1.569
Safety and Handling
Risk Statements
36-50/53
Safety Statements
A poison by ingestion and inhalation. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of SOx, NOx, and F−.
Transport
UN3077 9/PG 3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 37893-02-0 EC: T6666887 ·ECHA C&L Inventory for CAS: CAS: 37893-02-0 EC: T6666887
Computational chemical data
  • Molecular Weight:416.345g/mol
  • Molecular Formula:C11H17N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:416.053
  • Monoisotopic Mass:416.053
  • Complexity:643
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:65.6A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7gcBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHQQAAAAACAiBUBAxwIMAAAig ACZiZACCEAFhAhAJiAAAZIgIICLAmZGEIAhggADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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