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4-[(3-methylphenyl)sulfanyl]piperidine hydrochloride

4-[(3-methylphenyl)sulfanyl]piperidine hydrochloride

CAS: 882863-88-9

Formula: C12H18ClNS

SMILES: Cl.CC1=CC=CC(SC2CCNCC2)=C1

IUPAC: 4-[(3-methylphenyl)sulfanyl]piperidine hydrochloride

InChI: InChI=1S/C12H17NS.ClH/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11;/h2-4,9,11,13H,5-8H2,1H3;1H

Composition: C (59.12%), H (7.44%), Cl (14.54%), N (5.75%), S (13.15%)

Molar Mass: 243.79

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.0848485
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey CYRKZHYEEIUTNO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.11
Topological Polar Surface Area 12.03
Polarizability 25.18
Ring Count 2
Rotatable Bond Count 2

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95% <4 Days 882863-88-9 $28.75-$708.40$28.75$93.15$186.30$465.75$708.40
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