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85480-04-2 | Phosphonodithioic acid, phenyl-, S,S-dinonyl ester
CAS No: 85480-04-2 Catalog No: AG004S4T MDL No:
Product Description
Catalog Number:
AG004S4T
Chemical Name:
Phosphonodithioic acid, phenyl-, S,S-dinonyl ester
CAS Number:
85480-04-2
Molecular Formula:
C24H43OPS2
Molecular Weight:
442.7014
IUPAC Name:
bis(nonylsulfanyl)phosphorylbenzene
InChI:
InChI=1S/C24H43OPS2/c1-3-5-7-9-11-13-18-22-27-26(25,24-20-16-15-17-21-24)28-23-19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3
InChI Key:
KIYYCPHFRXQDOG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCSP(=O)(c1ccccc1)SCCCCCCCCC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.249g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.701g/mol
Monoisotopic Mass:
442.249g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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