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13003-35-5 | Pentane, 1,5-bis[(trifluoromethyl)thio]-
CAS No: 13003-35-5 Catalog No: AG000TY6 MDL No:
Product Description
Catalog Number:
AG000TY6
Chemical Name:
Pentane, 1,5-bis[(trifluoromethyl)thio]-
CAS Number:
13003-35-5
Molecular Formula:
C7H10F6S2
Molecular Weight:
272.2747
IUPAC Name:
1,5-bis(trifluoromethylsulfanyl)pentane
InChI:
InChI=1S/C7H10F6S2/c8-6(9,10)14-4-2-1-3-5-15-7(11,12)13/h1-5H2
InChI Key:
NBRGGERFCHAAMF-UHFFFAOYSA-N
SMILES:
FC(SCCCCCSC(F)(F)F)(F)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.267g/mol
Monoisotopic Mass:
272.013g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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