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Home> Hot Product Listed T   > Thiazolo[4,5-d]isoxazole(9CI)
343351-67-7 structure

Thiazolo[4,5-d]isoxazole(9CI)

Iupac Name:2-(4-methylphenyl)sulfonyl-5-nitrofuran
CAS No.:343351-67-7
Molecular Weight:267.255
Molecular Formula:C7H3N3S2 (isomer)
Names and Identifiers
Synonyms

[1,3]thiazolo[4,5-d][1,2]oxazole CTK0H1507 DTXSID00669257 HE322383 KB-261014 SCHEMBL217334 thiazolo[4,5-d]isoxazole Thiazolo[4,5-d]isoxazole (9CI) thiazolo[4,5-d]isoxazole (9ci) ZINC39134809

Inchi
InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
InChkey
GAUHIPWCDXOLCZ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)[N+](=O)[O-]
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 343351-67-7 EC: Thiazolo[4,5-d]isoxazole(9CI) ·ECHA C&L Inventory for CAS: CAS: 343351-67-7 EC: Thiazolo[4,5-d]isoxazole(9CI)
Computational chemical data
  • Molecular Weight:267.255g/mol
  • Molecular Formula:C7H3N3S2
  • Compound Is Canonicalized:True
  • Exact Mass:267.02
  • Monoisotopic Mass:267.02
  • Complexity:402
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:102A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQEAAAADACB2AAyhYAQREqJ AiFSU3DCCAAsKhAoiBkGbMoMJjKktZuKOSDkwBEo6YckgAAOEAAAAAAAAAAgAAAAAAAAAAAAAAAA AA==
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