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849409-11-6 | Cyclohexanone, 3,3'-[1,2-ethanediylbis(thio)]bis-
CAS No: 849409-11-6 Catalog No: AG004VBO MDL No:
Product Description
Catalog Number:
AG004VBO
Chemical Name:
Cyclohexanone, 3,3'-[1,2-ethanediylbis(thio)]bis-
CAS Number:
849409-11-6
Molecular Formula:
C14H22O2S2
Molecular Weight:
286.4533
IUPAC Name:
3-[2-(3-oxocyclohexyl)sulfanylethylsulfanyl]cyclohexan-1-one
InChI:
InChI=1S/C14H22O2S2/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h13-14H,1-10H2
InChI Key:
SUAZEFSEUQTCRZ-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)SCCSC1CCCC(=O)C1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.448g/mol
Monoisotopic Mass:
286.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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