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Home> Hot Product Listed 6   > 6E-306S
92886-89-0 structure

6E-306S

Iupac Name:S-ethyl N-methyl-N-(2-phenylethyl)carbamothioate
CAS No.:92886-89-0
Molecular Weight:223.334
Molecular Formula:C26H32N4O3 (isomer)
Names and Identifiers
Synonyms

AC1MXGWF AKOS005096694 BG01601806 KS-00003ANC methyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate methyl 2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylate methyl 2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxylate methyl 2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyridine-3-carboxylate ZINC3133824

Inchi
InChI=1S/C12H17NOS/c1-3-15-12(14)13(2)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChkey
QKZYXVYNKCHBIC-UHFFFAOYSA-N
Canonical Smiles
CCSC(=O)N(C)CCC1=CC=CC=C1
Properties
Refractive Index
1.552
Computational chemical data
  • Molecular Weight:223.334g/mol
  • Molecular Formula:C26H32N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:223.103
  • Monoisotopic Mass:223.103
  • Complexity:190
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:15
  • 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
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