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960151-65-9 | Tedatioxetine hydrobromide
CAS No: 960151-65-9 Catalog No: AG01EODC MDL No:
Product Description
Catalog Number:
AG01EODC
Chemical Name:
Tedatioxetine hydrobromide
CAS Number:
960151-65-9
Molecular Formula:
C18H22BrNS
Molecular Weight:
364.3430
IUPAC Name:
4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide
InChI:
InChI=1S/C18H21NS.BrH/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15;/h2-9,15,19H,10-13H2,1H3;1H
InChI Key:
OJVYWXLMPZJYGV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccccc1C1CCNCC1.Br
UNII:
986RNR3CFM
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.345g/mol
Monoisotopic Mass:
363.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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