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161609-97-8 | Piperidine, 4-[4-(methylthio)phenyl]-
CAS No: 161609-97-8 Catalog No: AG001VQL MDL No:MFCD04115004
Product Description
Catalog Number:
AG001VQL
Chemical Name:
Piperidine, 4-[4-(methylthio)phenyl]-
CAS Number:
161609-97-8
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
MDL Number:
MFCD04115004
IUPAC Name:
4-(4-methylsulfanylphenyl)piperidine
InChI:
InChI=1S/C12H17NS/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
InChI Key:
SLYJXLIXZJYJBD-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C1CCNCC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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