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914642-05-0 | 6,6,6-Trifluorohexylmercaptan
CAS No: 914642-05-0 Catalog No: AG01EZ2I MDL No:MFCD20233339
Product Description
Catalog Number:
AG01EZ2I
Chemical Name:
6,6,6-Trifluorohexylmercaptan
CAS Number:
914642-05-0
Molecular Formula:
C6H11F3S
Molecular Weight:
172.2117
MDL Number:
MFCD20233339
IUPAC Name:
6,6,6-trifluorohexane-1-thiol
InChI:
InChI=1S/C6H11F3S/c7-6(8,9)4-2-1-3-5-10/h10H,1-5H2
InChI Key:
VGKLEAKHGYTALD-UHFFFAOYSA-N
SMILES:
SCCCCCC(F)(F)F
Properties
Complexity:
79.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.209g/mol
Monoisotopic Mass:
172.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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