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Home > Fluorides > 113450-81-0
113450-81-0 | 1,3,5-Benzenetrimethanethiol, 2-fluoro-
CAS No: 113450-81-0 Catalog No: AG0008MN MDL No:
Product Description
Catalog Number:
AG0008MN
Chemical Name:
1,3,5-Benzenetrimethanethiol, 2-fluoro-
CAS Number:
113450-81-0
Molecular Formula:
C9H11FS3
Molecular Weight:
234.3770
IUPAC Name:
[4-fluoro-3,5-bis(sulfanylmethyl)phenyl]methanethiol
InChI:
InChI=1S/C9H11FS3/c10-9-7(4-12)1-6(3-11)2-8(9)5-13/h1-2,11-13H,3-5H2
InChI Key:
YXGMDZFZKQEMQT-UHFFFAOYSA-N
SMILES:
SCc1cc(CS)c(c(c1)CS)F
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.365g/mol
Monoisotopic Mass:
234.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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