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116149-47-4 | 2-Decanone, 1-(1,3-dithian-2-yl)-
CAS No: 116149-47-4 Catalog No: AG000BRU MDL No:
Product Description
Catalog Number:
AG000BRU
Chemical Name:
2-Decanone, 1-(1,3-dithian-2-yl)-
CAS Number:
116149-47-4
Molecular Formula:
C14H26OS2
Molecular Weight:
274.4856
IUPAC Name:
1-(1,3-dithian-2-yl)decan-2-one
InChI:
InChI=1S/C14H26OS2/c1-2-3-4-5-6-7-9-13(15)12-14-16-10-8-11-17-14/h14H,2-12H2,1H3
InChI Key:
IXDMBMVZGOIOIH-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)CC1SCCCS1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.481g/mol
Monoisotopic Mass:
274.143g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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