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88038-52-2 | Piperidine, 1-[(3-methyl-2-pyridinyl)thioxomethyl]-
CAS No: 88038-52-2 Catalog No: AG004J6V MDL No:
Product Description
Catalog Number:
AG004J6V
Chemical Name:
Piperidine, 1-[(3-methyl-2-pyridinyl)thioxomethyl]-
CAS Number:
88038-52-2
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
IUPAC Name:
(3-methylpyridin-2-yl)-piperidin-1-ylmethanethione
InChI:
InChI=1S/C12H16N2S/c1-10-6-5-7-13-11(10)12(15)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3
InChI Key:
NEBGYSBWSVTLRX-UHFFFAOYSA-N
SMILES:
Cc1cccnc1C(=S)N1CCCCC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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