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101798-66-7 | Piperidine, 4-(phenylthio)-, hydrochloride (1:1)
CAS No: 101798-66-7 Catalog No: AG0005L9 MDL No:MFCD03840144
Product Description
Catalog Number:
AG0005L9
Chemical Name:
Piperidine, 4-(phenylthio)-, hydrochloride (1:1)
CAS Number:
101798-66-7
Molecular Formula:
C11H16ClNS
Molecular Weight:
229.7694
MDL Number:
MFCD03840144
IUPAC Name:
4-phenylsulfanylpiperidine;hydrochloride
InChI:
InChI=1S/C11H15NS.ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
InChI Key:
PIKSGAGHYJVJCX-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Sc1ccccc1.Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.766g/mol
Monoisotopic Mass:
229.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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