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Home> Encyclopedia >   /  Chlorate  /  Water Treatment Chemicals  /  Chloride  /  Other Inorganic Chemicals  /  Pharmaceutical Intermediates
Benzenecarbothioicacid, S-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl) ester structure
Benzenecarbothioicacid, S-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl) ester structure

Benzenecarbothioicacid, S-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl) ester

CAS No.:1327-41-9
Molecular Weight:133.340538
1. Names and Identifiers
1.1 Name
Benzenecarbothioicacid, S-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl) ester
1.2 Synonyms

1,2,4-triazine-3,5(2h,4h)-dione, 6-benzoylthio- 24168-34-1 5-benzoylpyridazin-4-carbonsaeureethylester 5-Benzoylthio-6-azauracil 6-(benzoylsulfanyl)-2,4-dihydro-1,2,4-triazine-3,5-dione AB00682022-01 AC1L6SVW AC1Q6IT8 AKOS002346542 as-Triazine-3,5(2H,4H)-dione, 6-mercapto-, benzoate (ester) (8CI) Benzoicacid, thio-, S-ester with 6-mercapto-as-triazine-3,5(2H,4H)-dione (8CI) CHEMBL1719648 DTXSID40946993 MCULE-4760471751 mls002706792 MOLPORT-000-653-316 NADNGNYULOPOGE-UHFFFAOYSA-N NSC 118349 nsc118349 S-(3,5-Dihydroxy-1,2,4-triazin-6-yl) benzenecarbothioate s-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate s-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate # s-(3,5-dioxo-2h-1,2,4-triazin-6-yl) benzenecarbothioate smr001574191 ST50454712 STK970951 ZINC17431012

1.3 CAS No.
1327-41-9
1.4 Molecular Formula
C18H24N2O (isomer)
1.5 Inchi
InChI=1/2Al.ClH.5H2O/h;;1H;5*1H2/q2*+3;;;;;;/p-6
2. Properties
2.1 Density
1.23
2.2 Flash Point
102.6°C
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P390 Absorb spillage to prevent material damage.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

Disposal

none

2.3 Other hazards which do not result in classification

none

4. Computational chemical data
  • Molecular Weight:133.340538g/mol
  • Molecular Formula:C18H24N2O
  • Exact Mass:131.888097
  • Monoisotopic Mass:131.888097
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:0
  • Heavy Atom Count:4
  • 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:4
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