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Home> Hot Product Listed T   > Thiourea,N-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-N'-phenyl-
351980-88-6 structure

Thiourea,N-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-N'-phenyl-

Iupac Name:methyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS No.:351980-88-6
EINECS(EC#): 234-364-9
Molecular Weight:239.333
Molecular Formula:H2O3SI.3/4MG. (isomer)
Names and Identifiers
Synonyms

1-[4-methyl-6-(trichloromethyl)-s-triazine-2-yl]-3-phenylthiourea HE333874 Urea,1-[4-methyl-6-(trichloromethyl)-s-triazin-2-yl]-3-phenyl-2-thio- (8CI)

Inchi
InChI=1S/C12H17NO2S/c1-3-7-4-5-8-9(6-7)16-11(13)10(8)12(14)15-2/h7H,3-6,13H2,1-2H3
InChkey
OAGCBMZNJLDSNV-UHFFFAOYSA-N
Canonical Smiles
CCC1CCC2=C(C1)SC(=C2C(=O)OC)N
Properties
Density
1.24
Computational chemical data
  • Molecular Weight:239.333g/mol
  • Molecular Formula:H2O3SI.3/4MG.
  • Compound Is Canonicalized:True
  • Exact Mass:239.098
  • Monoisotopic Mass:239.098
  • Complexity:272
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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