Benzenesulfonothioic acid, 4-methyl-, S,S'-1,2-ethanediyl ester


Chemical Name: Benzenesulfonothioic acid, 4-methyl-, S,S'-1,2-ethanediyl ester
CAS Number: 2225-23-2
Product Number: AG003QI7(AGN-PC-0QYVDY)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Properties
MP:
72-75℃ (lit.)
BP:
580.2°C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
402.556g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
402.009g/mol
Monoisotopic Mass:
402.009g/mol
Topological Polar Surface Area:
136A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
519
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
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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