1,3,3a,4,6,6a-Hexahydrocyclopenta[c]thiophen-5-one


Chemical Name: 1,3,3a,4,6,6a-Hexahydrocyclopenta[c]thiophen-5-one
CAS Number: 1508068-71-0
Product Number: AG00HXTO(AGN-PC-0WBQXC)
Synonyms:
MDL No: MFCD24737708
Molecular Formula: C7H10OS
Molecular Weight: 142.2187

Identification/Properties


Computed Properties
Molecular Weight:
142.216g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
142.045g/mol
Monoisotopic Mass:
142.045g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
130
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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