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Home> Hot Product Listed I   > ILFNTKVUIFBWRK-UHFFFAOYSA-N
443923-58-8 structure

ILFNTKVUIFBWRK-UHFFFAOYSA-N

Iupac Name:5-[(E)-2-(2-ethylthiophen-3-yl)ethenyl]-1H-imidazole
CAS No.:443923-58-8
Molecular Weight:204.291
Molecular Formula:C9H12CLN3S (isomer)
Names and Identifiers
Synonyms

1-(bromomethyl)-3-(2-methylpropoxy)benzene 1-(bromomethyl)-3-isobutoxybenzene AKOS009310000 FT-0751653 MOLPORT-011-524-416 SCHEMBL272030 ZINC36894794

Inchi
InChI=1S/C11H12N2S/c1-2-11-9(5-6-14-11)3-4-10-7-12-8-13-10/h3-8H,2H2,1H3,(H,12,13)/b4-3+
InChkey
NVROMJGZUDCABS-ONEGZZNKSA-N
Canonical Smiles
CCC1=C(C=CS1)C=CC2=CN=CN2
Computational chemical data
  • Molecular Weight:204.291g/mol
  • Molecular Formula:C9H12CLN3S
  • Compound Is Canonicalized:True
  • Exact Mass:204.072
  • Monoisotopic Mass:204.072
  • Complexity:206
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:56.9A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAABAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAAB4AAAHAQQAAAADAjFXgS/kZbJkAik AzRnZACDgK2xGrBJ2Zg4cJiIaCLgGRCUAAAokAJoiCcAAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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