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


Chemical Name: 4H-Cyclopenta[2,1-b:3,4-b']dithiophene
CAS Number: 389-58-2
Product Number: AG00BXAT(AGN-PC-0069RX)
Synonyms:
MDL No:
Molecular Formula: C9H6S2
Molecular Weight: 178.2739

Identification/Properties


Properties
MP:
71.0 to 75.0 °C
BP:
307.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
178.267g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
177.991g/mol
Monoisotopic Mass:
177.991g/mol
Topological Polar Surface Area:
56.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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