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Home > Fluorides > 914642-04-9
914642-04-9 | 5,5,5-Trifluoropentylmercaptan
CAS No: 914642-04-9 Catalog No: AG01EZ2H MDL No:MFCD20233334
Product Description
Catalog Number:
AG01EZ2H
Chemical Name:
5,5,5-Trifluoropentylmercaptan
CAS Number:
914642-04-9
Molecular Formula:
C5H9F3S
Molecular Weight:
158.1852
MDL Number:
MFCD20233334
IUPAC Name:
5,5,5-trifluoropentane-1-thiol
InChI:
InChI=1S/C5H9F3S/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChI Key:
NZWGQHJSKLTBTE-UHFFFAOYSA-N
SMILES:
SCCCCC(F)(F)F
Properties
Complexity:
69.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.182g/mol
Monoisotopic Mass:
158.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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