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87577-95-5 | Pyridine, 2-[2-[(4-chlorophenyl)thio]ethyl]-, hydrochloride
CAS No: 87577-95-5 Catalog No: AG004R12 MDL No:
Product Description
Catalog Number:
AG004R12
Chemical Name:
Pyridine, 2-[2-[(4-chlorophenyl)thio]ethyl]-, hydrochloride
CAS Number:
87577-95-5
Molecular Formula:
C13H13Cl2NS
Molecular Weight:
286.2200
IUPAC Name:
2-[2-(4-chlorophenyl)sulfanylethyl]pyridine;hydrochloride
InChI:
InChI=1S/C13H12ClNS.ClH/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12;/h1-7,9H,8,10H2;1H
InChI Key:
YMRYYLLPPHGASV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SCCc1ccccn1.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.214g/mol
Monoisotopic Mass:
285.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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