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1864073-85-7

1864073-85-7 | 2-([2-(PIPERIDIN-4-YL)ETHYL]SULFANYL)PYRIDINE HYDROCHLORIDE

CAS No: 1864073-85-7 Catalog No: AG01AT9Z MDL No:MFCD26793302

Product Description

Catalog Number:
AG01AT9Z
Chemical Name:
2-([2-(PIPERIDIN-4-YL)ETHYL]SULFANYL)PYRIDINE HYDROCHLORIDE
CAS Number:
1864073-85-7
Molecular Formula:
C12H19ClN2S
Molecular Weight:
258.8107
MDL Number:
MFCD26793302
IUPAC Name:
2-(2-piperidin-4-ylethylsulfanyl)pyridine;hydrochloride
InChI:
InChI=1S/C12H18N2S.ClH/c1-2-7-14-12(3-1)15-10-6-11-4-8-13-9-5-11;/h1-3,7,11,13H,4-6,8-10H2;1H
InChI Key:
XAWJOWRQTOIEMV-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)CCSc1ccccn1.Cl

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.808g/mol
Monoisotopic Mass:
258.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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