3H-1,2-Dithiole-3-thione, 5-(4-hydroxyphenyl)-


Chemical Name: 3H-1,2-Dithiole-3-thione, 5-(4-hydroxyphenyl)-
CAS Number: 18274-81-2
Product Number: AG00243Y(AGN-PC-0O565L)
Synonyms:
MDL No:
Molecular Formula: C9H6OS3
Molecular Weight: 226.3383

Identification/Properties


Computed Properties
Molecular Weight:
226.326g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
225.958g/mol
Monoisotopic Mass:
225.958g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
241
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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