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89806-42-8 | Piperidine, 1-[(2,3-dihydro-3-methyl-2-benzothiazolyl)thio]-
CAS No: 89806-42-8 Catalog No: AG003Z05 MDL No:
Product Description
Catalog Number:
AG003Z05
Chemical Name:
Piperidine, 1-[(2,3-dihydro-3-methyl-2-benzothiazolyl)thio]-
CAS Number:
89806-42-8
Molecular Formula:
C13H18N2S2
Molecular Weight:
266.4254
IUPAC Name:
3-methyl-2-piperidin-1-ylsulfanyl-2H-1,3-benzothiazole
InChI:
InChI=1S/C13H18N2S2/c1-14-11-7-3-4-8-12(11)16-13(14)17-15-9-5-2-6-10-15/h3-4,7-8,13H,2,5-6,9-10H2,1H3
InChI Key:
VGBTTWAOKPXIFW-UHFFFAOYSA-N
SMILES:
CN1C(SN2CCCCC2)Sc2c1cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.421g/mol
Monoisotopic Mass:
266.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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