Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-


Chemical Name: Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-
CAS Number: 1733-12-6
Product Number: AG001YRK(AGN-PC-0JLAX4)
Synonyms:
MDL No:
Molecular Formula: C21H18O5S
Molecular Weight: 382.4296

Identification/Properties


Computed Properties
Molecular Weight:
382.43g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
382.087g/mol
Monoisotopic Mass:
382.087g/mol
Topological Polar Surface Area:
92.2A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
615
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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