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Home > Other Heterocycles > 116414-69-8
116414-69-8 | 1,4,6,9-Tetraoxaspiro[4.4]nonane, 2,7-bis[(ethylthio)methyl]-
CAS No: 116414-69-8 Catalog No: AG000CFW MDL No:
Product Description
Catalog Number:
AG000CFW
Chemical Name:
1,4,6,9-Tetraoxaspiro[4.4]nonane, 2,7-bis[(ethylthio)methyl]-
CAS Number:
116414-69-8
Molecular Formula:
C11H20O4S2
Molecular Weight:
280.4041
IUPAC Name:
3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane
InChI:
InChI=1S/C11H20O4S2/c1-3-16-7-9-5-12-11(14-9)13-6-10(15-11)8-17-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
XLMJZLRGHNHBTF-UHFFFAOYSA-N
SMILES:
CCSCC1COC2(O1)OCC(O2)CSCC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.397g/mol
Monoisotopic Mass:
280.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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