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Home > Pyridines > 1803572-03-3
1803572-03-3 | 5-(benzylsulfanyl)-2-methylpyridine hydrochloride
CAS No: 1803572-03-3 Catalog No: AG01BDKP MDL No:MFCD28064240
Product Description
Catalog Number:
AG01BDKP
Chemical Name:
5-(benzylsulfanyl)-2-methylpyridine hydrochloride
CAS Number:
1803572-03-3
Molecular Formula:
C13H14ClNS
Molecular Weight:
251.7750
MDL Number:
MFCD28064240
IUPAC Name:
5-benzylsulfanyl-2-methylpyridine;hydrochloride
InChI:
InChI=1S/C13H13NS.ClH/c1-11-7-8-13(9-14-11)15-10-12-5-3-2-4-6-12;/h2-9H,10H2,1H3;1H
InChI Key:
SDPHLSCKNGXXQI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cn1)SCc1ccccc1.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.772g/mol
Monoisotopic Mass:
251.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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