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101768-63-2 | Piperidine, 4-[(4-chlorophenyl)thio]-
CAS No: 101768-63-2 Catalog No: AG0005F6 MDL No:MFCD04115009
Product Description
Catalog Number:
AG0005F6
Chemical Name:
Piperidine, 4-[(4-chlorophenyl)thio]-
CAS Number:
101768-63-2
Molecular Formula:
C11H14ClNS
Molecular Weight:
227.7536
MDL Number:
MFCD04115009
IUPAC Name:
4-(4-chlorophenyl)sulfanylpiperidine
InChI:
InChI=1S/C11H14ClNS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChI Key:
DORGHGOWHFHJPG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SC1CCNCC1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.75g/mol
Monoisotopic Mass:
227.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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