2-(2-Methoxyethylthio)-3-methylnaphthalene-1,4-dione


Chemical Name: 2-(2-Methoxyethylthio)-3-methylnaphthalene-1,4-dione
CAS Number: 255906-59-3
Product Number: AG003ES7(AGN-PC-0WAFYL)
Synonyms:
MDL No:
Molecular Formula: C14H14O3S
Molecular Weight: 262.3242

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
262.323g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
262.066g/mol
Monoisotopic Mass:
262.066g/mol
Topological Polar Surface Area:
68.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
387
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:
Danger
UN#:
3077
Hazard Statements:
H400
Precautionary Statements:
P273
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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