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Home > Fluorides > 113391-65-4
113391-65-4 | 1,3-Benzenedimethanethiol, 2-fluoro-
CAS No: 113391-65-4 Catalog No: AG0008EM MDL No:
Product Description
Catalog Number:
AG0008EM
Chemical Name:
1,3-Benzenedimethanethiol, 2-fluoro-
CAS Number:
113391-65-4
Molecular Formula:
C8H9FS2
Molecular Weight:
188.2855
IUPAC Name:
[2-fluoro-3-(sulfanylmethyl)phenyl]methanethiol
InChI:
InChI=1S/C8H9FS2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3,10-11H,4-5H2
InChI Key:
SWRQZVVZLQFDFZ-UHFFFAOYSA-N
SMILES:
SCc1cccc(c1F)CS
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.278g/mol
Monoisotopic Mass:
188.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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