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Home> Hot Product Listed T   > Thiosulfuric acid,S-[2-(cycloheptylamino)ethyl] ester
1037184-44-3 structure

Thiosulfuric acid,S-[2-(cycloheptylamino)ethyl] ester

Iupac Name:4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CAS No.:1037184-44-3
Molecular Weight:366.194
Molecular Formula:C22H19CLN4O2S (isomer)
Names and Identifiers
Synonyms

(2-sulfosulfanylethylamino)cycloheptane [2-(cycloheptylamino)ethyl]sulfanylsulfonic acid 2-cycloheptylaminoethanethiol hydrogen sulfate (ester) AC1L3PFZ AC1Q6XOA brn 2841911 CTK8H9793 ethanethiol, 2-cycloheptylamino-, hydrogen sulfate (ester) ethanethiol,2-cycloheptylamino-,hydrogen sulfate ( ester) LS-65838 s-[2-(cycloheptylamino)ethyl]hydrogen sulfurothioate thiosulfuric acid hydrogen s-[2-(cycloheptylamino)ethyl] ester Thiosulfuricacid (H2S2O3), S-[2-(cycloheptylamino)ethyl] ester (8CI,9CI) WR 3288

Inchi
InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
InChkey
HLXSCTYHLQHQDJ-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O
Properties
Density
g/cm3
Melting Point
149-151℃
Boiling Point
730.3°Cat760mmHg
Flash Point
410.5°C
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:366.194g/mol
  • Molecular Formula:C22H19CLN4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:365.022
  • Monoisotopic Mass:365.022
  • Complexity:509
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB6OAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIQCAAADE6BmCIyxoLABgCI AqVSUAKCCAAlJQAIiAFGTsgOJjbFt5vEcShm5BHY+YedzeDeoAAQIAIDABBAACBABAYAIAAAAAAA AA==
 
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