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1099665-55-0 | 2-(3-Fluorophenyl)ethanethiol
CAS No: 1099665-55-0 Catalog No: AG01FF4I MDL No:
Product Description
Catalog Number:
AG01FF4I
Chemical Name:
2-(3-Fluorophenyl)ethanethiol
CAS Number:
1099665-55-0
Molecular Formula:
C8H9FS
Molecular Weight:
156.2205
IUPAC Name:
2-(3-fluorophenyl)ethanethiol
InChI:
InChI=1S/C8H9FS/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChI Key:
JWQSRARXHWDKDK-UHFFFAOYSA-N
SMILES:
SCCc1cccc(c1)F
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.218g/mol
Monoisotopic Mass:
156.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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