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Home > Other Heterocycles > 176-39-6
176-39-6 | 1,4-Dithiaspiro[4.4]nonane
CAS No: 176-39-6 Catalog No: AG0021CC MDL No:
Product Description
Catalog Number:
AG0021CC
Chemical Name:
1,4-Dithiaspiro[4.4]nonane
CAS Number:
176-39-6
Molecular Formula:
C7H12S2
Molecular Weight:
160.3002
IUPAC Name:
1,4-dithiaspiro[4.4]nonane
InChI:
InChI=1S/C7H12S2/c1-2-4-7(3-1)8-5-6-9-7/h1-6H2
InChI Key:
PQILQFSSQOQLEJ-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)SCCS2
UNII:
702C814QVJ
Properties
Complexity:
97.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.293g/mol
Monoisotopic Mass:
160.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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