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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Quinolinedione,6-amino-7-(methylthio)-
3977-29-5 structure

5,8-Quinolinedione,6-amino-7-(methylthio)-

Iupac Name:2-amino-6-methyl-1H-pyrimidin-4-one
CAS No.:3977-29-5
Molecular Weight:125.131
Molecular Formula:C11H8CLNO2S (isomer)
Properties
Density
1.287
Melting Point
>300℃
Boiling Point
497°Cat760mmHg
Refractive Index
1.651
HS Code
2933599090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S26;S36/37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:125.131g/mol
  • Molecular Formula:C11H8CLNO2S
  • Compound Is Canonicalized:True
  • Exact Mass:125.059
  • Monoisotopic Mass:125.059
  • Complexity:204
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:67.5A^2
  • Heavy Atom Count:9
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBjIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQAAAACAiBgAADAALAAACo ACVSdACAAAEAAgABCAAAAECAAAAACQAAAAAAEAIAAUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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