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1443307-28-5 | 4-Fluoro-2-[(4-thiomorpholino)methyl]thiophenol
CAS No: 1443307-28-5 Catalog No: AG01F9V7 MDL No:
Product Description
Catalog Number:
AG01F9V7
Chemical Name:
4-Fluoro-2-[(4-thiomorpholino)methyl]thiophenol
CAS Number:
1443307-28-5
Molecular Formula:
C11H14FNS2
Molecular Weight:
243.3640
IUPAC Name:
4-fluoro-2-(thiomorpholin-4-ylmethyl)benzenethiol
InChI:
InChI=1S/C11H14FNS2/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8H2
InChI Key:
ZNFSUHTZHDGALY-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1CN1CCSCC1)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.358g/mol
Monoisotopic Mass:
243.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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