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Home> Hot Product Listed T   > T6688040
51291-31-7 structure

T6688040

Iupac Name:3-benzyl-4-methyl-1H-1,2,4-triazole-5-thione
CAS No.:51291-31-7
Molecular Weight:205.279
Molecular Formula:C14H12N2O4S2 (isomer)
Names and Identifiers
Synonyms

AKOS008146715 MCULE-3962641115 methyl (2s,3s)-2-[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamido]-3-methylpentanoate MOLPORT-009-096-057 Z805658414

Inchi
InChI=1S/C10H11N3S/c1-13-9(11-12-10(13)14)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)
InChkey
MJOLNPWSILTXMX-UHFFFAOYSA-N
Canonical Smiles
CN1C(=NNC1=S)CC2=CC=CC=C2
Properties
Refractive Index
1.659
Computational chemical data
  • Molecular Weight:205.279g/mol
  • Molecular Formula:C14H12N2O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:205.067
  • Monoisotopic Mass:205.067
  • Complexity:256
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • 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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Recommended Suppliers
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