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Home> Hot Product Listed 2   > 2-Propenamide, N-[4-[(1-methylethyl)thio]phenyl]-
6628-20-2 structure

2-Propenamide, N-[4-[(1-methylethyl)thio]phenyl]-

Iupac Name:5-methyl-1H-tetrazolo[1,5-a]pyrimidin-7-one
CAS No.:6628-20-2
Molecular Weight:151.1261
Molecular Formula:C7H8O5S2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C5H5N5O/c1-3-2-4(11)10-5(6-3)7-8-9-10/h2H,1H3,(H,6,7,9)
InChkey
DYRVJGSNWSXGLT-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=O)N2C(=N1)N=NN2
Properties
Density
1.121
Refractive Index
1.873
Reach Info
Computational chemical data
  • Molecular Weight:151.1261g/mol
  • Molecular Formula:C7H8O5S2
  • Compound Is Canonicalized:True
  • Exact Mass:151.049
  • Monoisotopic Mass:151.049
  • Complexity:302
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:11
  • 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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