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Home > Other Heterocycles > 130147-99-8
130147-99-8 | 2,3-Dithiabicyclo[2.2.2]oct-5-ene
CAS No: 130147-99-8 Catalog No: AG000U2T MDL No:
Product Description
Catalog Number:
AG000U2T
Chemical Name:
2,3-Dithiabicyclo[2.2.2]oct-5-ene
CAS Number:
130147-99-8
Molecular Formula:
C6H8S2
Molecular Weight:
144.2577
IUPAC Name:
2,3-dithiabicyclo[2.2.2]oct-5-ene
InChI:
InChI=1S/C6H8S2/c1-2-6-4-3-5(1)7-8-6/h1-2,5-6H,3-4H2
InChI Key:
GYSWZSCAHTWSTK-UHFFFAOYSA-N
SMILES:
C1CC2SSC1C=C2
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.007g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.25g/mol
Monoisotopic Mass:
144.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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