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7632-76-0 | 2-Propene-1-thione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CAS No: 7632-76-0 Catalog No: AG0056E6 MDL No:
Product Description
Catalog Number:
AG0056E6
Chemical Name:
2-Propene-1-thione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CAS Number:
7632-76-0
Molecular Formula:
C15H19NOS
Molecular Weight:
261.3825
IUPAC Name:
1-(4-methoxyphenyl)-3-piperidin-1-ylprop-2-ene-1-thione
InChI:
InChI=1S/C15H19NOS/c1-17-14-7-5-13(6-8-14)15(18)9-12-16-10-3-2-4-11-16/h5-9,12H,2-4,10-11H2,1H3
InChI Key:
NFRQLMOZPUHGRI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=S)C=CN1CCCCC1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.383g/mol
Monoisotopic Mass:
261.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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