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138248-27-8 | Piperidine, 4-(9H-thioxanthen-9-ylidene)-, hydrochloride (1:1)
CAS No: 138248-27-8 Catalog No: AG0018DO MDL No:
Product Description
Catalog Number:
AG0018DO
Chemical Name:
Piperidine, 4-(9H-thioxanthen-9-ylidene)-, hydrochloride (1:1)
CAS Number:
138248-27-8
Molecular Formula:
C18H18ClNS
Molecular Weight:
315.8602
IUPAC Name:
4-thioxanthen-9-ylidenepiperidine;hydrochloride
InChI:
InChI=1S/C18H17NS.ClH/c1-3-7-16-14(5-1)18(13-9-11-19-12-10-13)15-6-2-4-8-17(15)20-16;/h1-8,19H,9-12H2;1H
InChI Key:
LIYRMLRUHUDTRE-UHFFFAOYSA-N
SMILES:
N1CCC(=C2c3ccccc3Sc3c2cccc3)CC1.Cl
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.859g/mol
Monoisotopic Mass:
315.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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