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99202-33-2 | Pyridine, 2-(4-piperidinylthio)-
CAS No: 99202-33-2 Catalog No: AG00IK8Q MDL No:MFCD04114988
Product Description
Catalog Number:
AG00IK8Q
Chemical Name:
Pyridine, 2-(4-piperidinylthio)-
CAS Number:
99202-33-2
Molecular Formula:
C10H14N2S
Molecular Weight:
194.2966
MDL Number:
MFCD04114988
IUPAC Name:
2-piperidin-4-ylsulfanylpyridine
InChI:
InChI=1S/C10H14N2S/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2
InChI Key:
PQNPFWYEMJMDTQ-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Sc1ccccn1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.088g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.296g/mol
Monoisotopic Mass:
194.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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