Home Other Building Blocks 8-thiabicyclo[3.2.1]octan-3-one

8-thiabicyclo[3.2.1]octan-3-one

CAS No.:
16892-50-5
Catalog Number:
AG001YEL
Molecular Formula:
C7H10OS
Molecular Weight:
142.2187
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Product Description
Catalog Number:
AG001YEL
Chemical Name:
8-thiabicyclo[3.2.1]octan-3-one
CAS Number:
16892-50-5
Molecular Formula:
C7H10OS
Molecular Weight:
142.2187
MDL Number:
MFCD24688193
IUPAC Name:
8-thiabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C7H10OS/c8-5-3-6-1-2-7(4-5)9-6/h6-7H,1-4H2
InChI Key:
WRKYCQOFEBORNV-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(C1)S2
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.045g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.216g/mol
Monoisotopic Mass:
142.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties