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1656-67-3 | Phosphonodithioic acid, S,S-dioctyl ester
CAS No: 1656-67-3 Catalog No: AG001W8Q MDL No:
Product Description
Catalog Number:
AG001W8Q
Chemical Name:
Phosphonodithioic acid, S,S-dioctyl ester
CAS Number:
1656-67-3
Molecular Formula:
C16H35OPS2
Molecular Weight:
338.5523
IUPAC Name:
bis(octylsulfanyl)-oxophosphanium
InChI:
InChI=1S/C16H34OPS2/c1-3-5-7-9-11-13-15-19-18(17)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/q+1
InChI Key:
QCWXWCRMPRHPDY-UHFFFAOYSA-N
SMILES:
CCCCCCCCSP(=O)SCCCCCCCC
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.179g/mol
Formal Charge:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.541g/mol
Monoisotopic Mass:
337.179g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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