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Home> Hot Product Listed 2   > 2-(ethenesulfonyl)-4-methyl-1,3-thiazole
530-46-1 structure

2-(ethenesulfonyl)-4-methyl-1,3-thiazole

Iupac Name:(4-fluorophenyl)-(4-methylphenyl)methanone
CAS No.:530-46-1
Molecular Weight:214.239
Molecular Formula:C11H13N3OS3 (isomer)
Names and Identifiers
Synonyms

AC1Q2OMC AKOS009482546 EN300-66495 MOLPORT-012-653-237 NE59303 Z2492395530 ZINC35322429

Inchi
InChI=1S/C14H11FO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2-9H,1H3
InChkey
SLMBDAUYJQQTRF-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F
Properties
Refractive Index
1.56
Computational chemical data
  • Molecular Weight:214.239g/mol
  • Molecular Formula:C11H13N3OS3
  • Compound Is Canonicalized:True
  • Exact Mass:214.079
  • Monoisotopic Mass:214.079
  • Complexity:235
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:16
  • 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: AAADccBwIQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGwAAAAAADASAmAgyAIAAAACI AqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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