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76326-67-5 | Thioperoxydiphosphoricacid ([(HO)2P(S)]2S2), tetrahexyl ester (9CI)
CAS No: 76326-67-5 Catalog No: AG005E6C MDL No:
Product Description
Catalog Number:
AG005E6C
Chemical Name:
Thioperoxydiphosphoricacid ([(HO)2P(S)]2S2), tetrahexyl ester (9CI)
CAS Number:
76326-67-5
Molecular Formula:
C24H52O7P2S
Molecular Weight:
546.6780
IUPAC Name:
(dihexoxyphosphinothioyldisulfanyl)-dihexoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C24H52O4P2S4/c1-5-9-13-17-21-25-29(31,26-22-18-14-10-6-2)33-34-30(32,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-24H2,1-4H3
InChI Key:
IUONZAZXFRWPFL-UHFFFAOYSA-N
SMILES:
CCCCCCOP(=O)(SOP(=O)(OCCCCCC)OCCCCCC)OCCCCCC
EC Number:
278-421-6
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.222g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.864g/mol
Monoisotopic Mass:
594.222g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6
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