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77129-73-8 | Piperidine, 1-[2-(4-bromophenyl)-1-thioxoethyl]-
CAS No: 77129-73-8 Catalog No: AG00565X MDL No:
Product Description
Catalog Number:
AG00565X
Chemical Name:
Piperidine, 1-[2-(4-bromophenyl)-1-thioxoethyl]-
CAS Number:
77129-73-8
Molecular Formula:
C13H16BrNS
Molecular Weight:
298.2418
IUPAC Name:
2-(4-bromophenyl)-1-piperidin-1-ylethanethione
InChI:
InChI=1S/C13H16BrNS/c14-12-6-4-11(5-7-12)10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChI Key:
AWIQTAVVKXVUKZ-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)Cc1ccc(cc1)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.242g/mol
Monoisotopic Mass:
297.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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