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Home> Hot Product Listed T   > T6662776
119482-69-8 structure

T6662776

Iupac Name:4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one
CAS No.:119482-69-8
Molecular Weight:207.25226
Molecular Formula:C11H14BRN3O2 (isomer)
Names and Identifiers
Synonyms

MCULE-3615200646 MOLPORT-009-054-872 n-({4-[(3-methylpiperidin-1-yl)methyl]phenyl}methyl)hexanamide Z421504518

Inchi
InChI=1/C9H9N3OS/c13-8-10-11-9(14)12(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,14)
Canonical Smiles
C1=CC=C(C=C1)CN2C(=O)NNC2=S
Properties
Vapour
5.3E-09mmHg at 25°C
Refractive Index
1.714
Computational chemical data
  • Molecular Weight:207.25226g/mol
  • Molecular Formula:C11H14BRN3O2
  • Exact Mass:207.046633
  • Monoisotopic Mass:207.046633
  • Complexity:250
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:76.5
  • Heavy Atom Count:14
  • 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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