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Home > Fluorides > 825628-56-6
825628-56-6 | 2-Propanol, 1,3-bis[(trifluoromethyl)thio]-
CAS No: 825628-56-6 Catalog No: AG0053OG MDL No:
Product Description
Catalog Number:
AG0053OG
Chemical Name:
2-Propanol, 1,3-bis[(trifluoromethyl)thio]-
CAS Number:
825628-56-6
Molecular Formula:
C5H6F6OS2
Molecular Weight:
260.2210
IUPAC Name:
1,3-bis(trifluoromethylsulfanyl)propan-2-ol
InChI:
InChI=1S/C5H6F6OS2/c6-4(7,8)13-1-3(12)2-14-5(9,10)11/h3,12H,1-2H2
InChI Key:
WRZLACCDPIWQQO-UHFFFAOYSA-N
SMILES:
OC(CSC(F)(F)F)CSC(F)(F)F
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.212g/mol
Monoisotopic Mass:
259.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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