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85066-89-3 | Phosphonium, [2-(2-methyl-1,3-dithian-2-yl)ethyl]triphenyl-, nitrate
CAS No: 85066-89-3 Catalog No: AG004S7K MDL No:
Product Description
Catalog Number:
AG004S7K
Chemical Name:
Phosphonium, [2-(2-methyl-1,3-dithian-2-yl)ethyl]triphenyl-, nitrate
CAS Number:
85066-89-3
Molecular Formula:
C25H28NO3PS2
Molecular Weight:
485.5985
IUPAC Name:
2-(2-methyl-1,3-dithian-2-yl)ethyl-triphenylphosphanium;nitrate
InChI:
InChI=1S/C25H28PS2.NO3/c1-25(27-20-11-21-28-25)18-19-26(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24;2-1(3)4/h2-10,12-17H,11,18-21H2,1H3;/q+1;-1
InChI Key:
MKRQNAKXVWIVET-UHFFFAOYSA-N
SMILES:
CC1(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)SCCCS1.[O-][N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.125g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.597g/mol
Monoisotopic Mass:
485.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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