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Home > Fluorides > 87301-53-9

87301-53-9

87301-53-9 | 1-benzyltetrahydrothiophenium hexafluorophosphate

CAS No: 87301-53-9 Catalog No: AG004LI7 MDL No:MFCD22421760

Product Description

Catalog Number:
AG004LI7
Chemical Name:
1-benzyltetrahydrothiophenium hexafluorophosphate
CAS Number:
87301-53-9
Molecular Formula:
C11H15F6PS
Molecular Weight:
324.2660
MDL Number:
MFCD22421760
IUPAC Name:
1-benzylthiolan-1-ium;hexafluorophosphate
InChI:
InChI=1S/C11H15S.F6P/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-7(2,3,4,5)6/h1-3,6-7H,4-5,8-10H2;/q+1;-1
InChI Key:
NLOSHQPXCGGWIM-UHFFFAOYSA-N
SMILES:
C1CC[S+](C1)Cc1ccccc1.F[P-](F)(F)(F)(F)F
NSC Number:
378241

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.054g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.265g/mol
Monoisotopic Mass:
324.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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