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Home> Hot Product Listed S   > STOCK6S-93187
4586-22-5 structure

STOCK6S-93187

CAS No.:4586-22-5
Molecular Weight:480.4225
Molecular Formula:C10H12BRNO (isomer)
Names and Identifiers
Synonyms

AKOS005669979 MCULE-3235442818 MOLPORT-008-340-788 n-[3-(1,1-dioxido-1,2-thiazolidin-2-yl)phenyl]-n'-[2-oxo-2-(propan-2-ylamino)ethyl]ethanediamide n'-[3-(1,1-dioxo-1??,2-thiazolidin-2-yl)phenyl]-n-[(isopropylcarbamoyl)methyl]ethanediamide STK938863 ZINC36365064

Inchi
InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3
InChkey
MJYUBUQHKCAJQR-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:480.4225g/mol
  • Molecular Formula:C10H12BRNO
  • Exact Mass:480.003782
  • Monoisotopic Mass:480.003782
  • Complexity:902
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:173
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
Recommended Suppliers
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Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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