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137516-82-6 | 1,4-Dithiacyclotridecane-5,13-dione
CAS No: 137516-82-6 Catalog No: AG0013H9 MDL No:
Product Description
Catalog Number:
AG0013H9
Chemical Name:
1,4-Dithiacyclotridecane-5,13-dione
CAS Number:
137516-82-6
Molecular Formula:
C11H18O2S2
Molecular Weight:
246.3894
IUPAC Name:
1,4-dithiacyclotridecane-5,13-dione
InChI:
InChI=1S/C11H18O2S2/c12-10-6-4-2-1-3-5-7-11(13)15-9-8-14-10/h1-9H2
InChI Key:
BWXIXOHYENKTHF-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCC(=O)SCCS1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.383g/mol
Monoisotopic Mass:
246.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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