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3-FLUOROTHIOANISOLE

CAS No.:
40096-23-9
Catalog Number:
AG00C7AM
Molecular Formula:
C7H7FS
Molecular Weight:
142.1939
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Product Description
Catalog Number:
AG00C7AM
Chemical Name:
3-FLUOROTHIOANISOLE
CAS Number:
40096-23-9
Molecular Formula:
C7H7FS
Molecular Weight:
142.1939
MDL Number:
MFCD06798004
IUPAC Name:
(3-fluorophenyl)methanethiol
InChI:
InChI=1S/C7H7FS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChI Key:
PMZGGJCLPBGARD-UHFFFAOYSA-N
SMILES:
SCc1cccc(c1)F
Properties
Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.191g/mol
Monoisotopic Mass:
142.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties