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87177-89-7 | Phosphine oxide, [2-(2-methyl-1,3-dithian-2-yl)ethyl]diphenyl-
CAS No: 87177-89-7 Catalog No: AG004SPO MDL No:
Product Description
Catalog Number:
AG004SPO
Chemical Name:
Phosphine oxide, [2-(2-methyl-1,3-dithian-2-yl)ethyl]diphenyl-
CAS Number:
87177-89-7
Molecular Formula:
C19H23OPS2
Molecular Weight:
362.4891
IUPAC Name:
2-(2-diphenylphosphorylethyl)-2-methyl-1,3-dithiane
InChI:
InChI=1S/C19H23OPS2/c1-19(22-15-8-16-23-19)13-14-21(20,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
InChI Key:
NWQAILQTUJMRAZ-UHFFFAOYSA-N
SMILES:
CC1(CCP(=O)(c2ccccc2)c2ccccc2)SCCCS1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.486g/mol
Monoisotopic Mass:
362.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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