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99202-39-8 | 2-piperidin-4-ylsulfanylpyridine;dihydrochloride
CAS No: 99202-39-8 Catalog No: AG00IK8R MDL No:MFCD03840145
Product Description
Catalog Number:
AG00IK8R
Chemical Name:
2-piperidin-4-ylsulfanylpyridine;dihydrochloride
CAS Number:
99202-39-8
Molecular Formula:
C10H16Cl2N2S
Molecular Weight:
267.2184
MDL Number:
MFCD03840145
IUPAC Name:
2-piperidin-4-ylsulfanylpyridine;dihydrochloride
InChI:
InChI=1S/C10H14N2S.2ClH/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
InChI Key:
PITBBBFCFBTZBN-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Sc1ccccn1.Cl.Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.212g/mol
Monoisotopic Mass:
266.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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