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23688-27-9 | 2-Propene-1-thione, 3-(1-piperidinyl)-1-(2-thienyl)-
CAS No: 23688-27-9 Catalog No: AG002O51 MDL No:
Product Description
Catalog Number:
AG002O51
Chemical Name:
2-Propene-1-thione, 3-(1-piperidinyl)-1-(2-thienyl)-
CAS Number:
23688-27-9
Molecular Formula:
C12H15NS2
Molecular Weight:
237.3842
IUPAC Name:
3-piperidin-1-yl-1-thiophen-2-ylprop-2-ene-1-thione
InChI:
InChI=1S/C12H15NS2/c14-11(12-5-4-10-15-12)6-9-13-7-2-1-3-8-13/h4-6,9-10H,1-3,7-8H2
InChI Key:
JTHYHUHNWUOSNH-UHFFFAOYSA-N
SMILES:
S=C(c1cccs1)C=CN1CCCCC1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.379g/mol
Monoisotopic Mass:
237.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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