Thieno[3,2-c]pyridine-5(4H)-acetic acid,a-(2-chlorophenyl)-6,7-dihydro-, methyl ester, sulfate (1:1)


Chemical Name: Thieno[3,2-c]pyridine-5(4H)-acetic acid,a-(2-chlorophenyl)-6,7-dihydro-, methyl ester, sulfate (1:1)
CAS Number: 135046-48-9
Product Number: AG003P0N(AGN-PC-0PKHIW)
Synonyms:
MDL No:
Molecular Formula: C16H18ClNO6S2
Molecular Weight: 419.9002

Identification/Properties


Properties
MP:
184°C
BP:
447.3°C at 760 mmHg
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Solubility:
DMSO: ~26mg/mL
Computed Properties
Molecular Weight:
419.891g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
4
Exact Mass:
419.026g/mol
Monoisotopic Mass:
419.026g/mol
Topological Polar Surface Area:
141A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
463
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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