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Home> Hot Product Listed S   > STK585437
55295-98-2 structure

STK585437

CAS No.:55295-98-2
Molecular Weight:167.5974
Molecular Formula:C15H14N4O2S3 (isomer)
Names and Identifiers
Synonyms

(2e)-n-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide (2e)-n-[(2e)-6-(methylsulfonyl)-1,3-benzothiazol-2(3h)-ylidene]-3-(4-propoxyphenyl)prop-2-enamide (2e)-n-[6-(methylsulfonyl)benzothiazol-2-yl]-3-(4-propoxyphenyl)prop-2-enamide (e)-n-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide AC1LTTF5 AKOS002241241 AKOS005508806 MOLPORT-000-666-073 MOLPORT-000-808-176 MOLPORT-006-816-159 ST50194763 STOCK3S-51245 ZINC9015940

Inchi
InChI=1S/C2H4N4.CH2O.ClH.H3N/c3-1-6-2(4)5;1-2;;/h(H4,4,5,6);1H2;1H;1H3
Canonical Smiles
C=O.C(#N)N=C(N)N.[NH4+].[Cl-]
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 55295-98-2 EC: STK585437 ·ECHA C&L Inventory for CAS: CAS: 55295-98-2 EC: STK585437
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:167.5974g/mol
  • Molecular Formula:C15H14N4O2S3
  • Exact Mass:167.057388
  • Monoisotopic Mass:167.057388
  • Complexity:102
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:106
  • Heavy Atom Count:10
  • 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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