4H-Cyclopenta[2,1-b:3,4-b']dithiophen-4-one


Chemical Name: 4H-Cyclopenta[2,1-b:3,4-b']dithiophen-4-one
CAS Number: 25796-77-4
Product Number: AG0034NV(AGN-PC-0NDT0B)
Synonyms:
MDL No:
Molecular Formula: C9H4OS2
Molecular Weight: 192.2575

Identification/Properties


Properties
MP:
134.0 to 138.0 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
192.25g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
191.97g/mol
Monoisotopic Mass:
191.97g/mol
Topological Polar Surface Area:
73.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
207
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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