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Home > Other Heterocycles > 109528-68-9
109528-68-9 | 7,9-Dithiabicyclo[4.3.1]deca-2,4-diene
CAS No: 109528-68-9 Catalog No: AG007AHP MDL No:
Product Description
Catalog Number:
AG007AHP
Chemical Name:
7,9-Dithiabicyclo[4.3.1]deca-2,4-diene
CAS Number:
109528-68-9
Molecular Formula:
C8H10S2
Molecular Weight:
170.2950
IUPAC Name:
7,9-dithiabicyclo[4.3.1]deca-2,4-diene
InChI:
InChI=1S/C8H10S2/c1-2-4-8-5-7(3-1)9-6-10-8/h1-4,7-8H,5-6H2
InChI Key:
DBIHGTSJLDHYKT-UHFFFAOYSA-N
SMILES:
C1SC2C=CC=CC(S1)C2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.288g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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