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Home > Pyridines > 1353954-56-9
1353954-56-9 | 4-(Pyrrolidin-2-ylmethylsulfanyl)-pyridine hydrochloride
CAS No: 1353954-56-9 Catalog No: AG01F7H2 MDL No:
Product Description
Catalog Number:
AG01F7H2
Chemical Name:
4-(Pyrrolidin-2-ylmethylsulfanyl)-pyridine hydrochloride
CAS Number:
1353954-56-9
Molecular Formula:
C10H15ClN2S
Molecular Weight:
230.7575
IUPAC Name:
4-(pyrrolidin-2-ylmethylsulfanyl)pyridine;hydrochloride
InChI:
InChI=1S/C10H14N2S.ClH/c1-2-9(12-5-1)8-13-10-3-6-11-7-4-10;/h3-4,6-7,9,12H,1-2,5,8H2;1H
InChI Key:
RHGMJTLRJBHFIH-UHFFFAOYSA-N
SMILES:
C1CNC(C1)CSc1ccncc1.Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.754g/mol
Monoisotopic Mass:
230.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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