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Home > Pyridines > 1417794-05-8
1417794-05-8 | Pyridine, 4-[(3-pyrrolidinylmethyl)thio]-, hydrochloride (1:1)
CAS No: 1417794-05-8 Catalog No: AG001H5N MDL No:MFCD22631732
Product Description
Catalog Number:
AG001H5N
Chemical Name:
Pyridine, 4-[(3-pyrrolidinylmethyl)thio]-, hydrochloride (1:1)
CAS Number:
1417794-05-8
Molecular Formula:
C10H15ClN2S
Molecular Weight:
230.7575
MDL Number:
MFCD22631732
IUPAC Name:
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
InChI:
InChI=1S/C10H14N2S.ClH/c1-4-12-7-9(1)8-13-10-2-5-11-6-3-10;/h2-3,5-6,9,12H,1,4,7-8H2;1H
InChI Key:
JVZQZCAOABJKTI-UHFFFAOYSA-N
SMILES:
C1NCC(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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