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146719-81-5 | 1,4,7-Dithiaphosphonane, 7-phenyl-
CAS No: 146719-81-5 Catalog No: AG001EA3 MDL No:
Product Description
Catalog Number:
AG001EA3
Chemical Name:
1,4,7-Dithiaphosphonane, 7-phenyl-
CAS Number:
146719-81-5
Molecular Formula:
C12H17PS2
Molecular Weight:
256.3671
IUPAC Name:
7-phenyl-1,4,7-dithiaphosphonane
InChI:
InChI=1S/C12H17PS2/c1-2-4-12(5-3-1)13-6-8-14-10-11-15-9-7-13/h1-5H,6-11H2
InChI Key:
IJZYUAWFEAILKH-UHFFFAOYSA-N
SMILES:
S1CCP(CCSCC1)c1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.362g/mol
Monoisotopic Mass:
256.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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