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88038-54-4 | Piperidine, 1-(benzo[b]thien-3-ylthioxomethyl)-
CAS No: 88038-54-4 Catalog No: AG004GFK MDL No:
Product Description
Catalog Number:
AG004GFK
Chemical Name:
Piperidine, 1-(benzo[b]thien-3-ylthioxomethyl)-
CAS Number:
88038-54-4
Molecular Formula:
C14H15NS2
Molecular Weight:
261.4056
IUPAC Name:
1-benzothiophen-3-yl(piperidin-1-yl)methanethione
InChI:
InChI=1S/C14H15NS2/c16-14(15-8-4-1-5-9-15)12-10-17-13-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChI Key:
RNNVGQSTLDYKDH-UHFFFAOYSA-N
SMILES:
S=C(c1csc2c1cccc2)N1CCCCC1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.401g/mol
Monoisotopic Mass:
261.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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