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101798-64-5 | Piperidine, 4-[(4-chlorophenyl)thio]-, hydrochloride (1:1)
CAS No: 101798-64-5 Catalog No: AG0005LA MDL No:MFCD03840148
Product Description
Catalog Number:
AG0005LA
Chemical Name:
Piperidine, 4-[(4-chlorophenyl)thio]-, hydrochloride (1:1)
CAS Number:
101798-64-5
Molecular Formula:
C11H15Cl2NS
Molecular Weight:
264.2145
MDL Number:
MFCD03840148
IUPAC Name:
4-(4-chlorophenyl)sulfanylpiperidine;hydrochloride
InChI:
InChI=1S/C11H14ClNS.ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
InChI Key:
UPCRGRQCVDATBB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SC1CCNCC1.Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.208g/mol
Monoisotopic Mass:
263.03g/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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