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16386-67-7 | Piperidine, 4-(2-bromo-9H-thioxanthen-9-ylidene)-1-methyl-
CAS No: 16386-67-7 Catalog No: AG001UG6 MDL No:
Product Description
Catalog Number:
AG001UG6
Chemical Name:
Piperidine, 4-(2-bromo-9H-thioxanthen-9-ylidene)-1-methyl-
CAS Number:
16386-67-7
Molecular Formula:
C19H18BrNS
Molecular Weight:
372.3219
IUPAC Name:
4-(2-bromothioxanthen-9-ylidene)-1-methylpiperidine
InChI:
InChI=1S/C19H18BrNS/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19/h2-7,12H,8-11H2,1H3
InChI Key:
UHGZJXZINNENOT-UHFFFAOYSA-N
SMILES:
CN1CCC(=C2c3ccccc3Sc3c2cc(Br)cc3)CC1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.324g/mol
Monoisotopic Mass:
371.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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