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289677-12-9 | Ethanethione, 2-(3,5-difluorophenyl)-1-(1-piperidinyl)-
CAS No: 289677-12-9 Catalog No: AG002V0D MDL No:
Product Description
Catalog Number:
AG002V0D
Chemical Name:
Ethanethione, 2-(3,5-difluorophenyl)-1-(1-piperidinyl)-
CAS Number:
289677-12-9
Molecular Formula:
C13H15F2NS
Molecular Weight:
255.3267
IUPAC Name:
2-(3,5-difluorophenyl)-1-piperidin-1-ylethanethione
InChI:
InChI=1S/C13H15F2NS/c14-11-6-10(7-12(15)9-11)8-13(17)16-4-2-1-3-5-16/h6-7,9H,1-5,8H2
InChI Key:
YUNHSFRXNHXSKH-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)Cc1cc(F)cc(c1)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.327g/mol
Monoisotopic Mass:
255.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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