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Home > Fluorides > 125870-53-3
125870-53-3 | 1-Butanethiol, 1,1,2,2,3,3,4,4,4-nonafluoro-
CAS No: 125870-53-3 Catalog No: AG000OWJ MDL No:
Product Description
Catalog Number:
AG000OWJ
Chemical Name:
1-Butanethiol, 1,1,2,2,3,3,4,4,4-nonafluoro-
CAS Number:
125870-53-3
Molecular Formula:
C4HF9S
Molecular Weight:
252.1014
IUPAC Name:
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-thiol
InChI:
InChI=1S/C4HF9S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14/h14H
InChI Key:
JQTSHCMLWFLXRN-UHFFFAOYSA-N
SMILES:
FC(C(C(C(S)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.098g/mol
Monoisotopic Mass:
251.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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