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1227-47-0 | Piperidine, 1,1'-(dithiodipropylene)di-, dihydrochloride (7CI,8CI)
CAS No: 1227-47-0 Catalog No: AG000J0H MDL No:
Product Description
Catalog Number:
AG000J0H
Chemical Name:
Piperidine, 1,1'-(dithiodipropylene)di-, dihydrochloride (7CI,8CI)
CAS Number:
1227-47-0
Molecular Formula:
C16H34Cl2N2S2
Molecular Weight:
389.4906
IUPAC Name:
1-[2-(1-piperidin-1-ylpropan-2-yldisulfanyl)propyl]piperidine
InChI:
InChI=1S/C16H32N2S2/c1-15(13-17-9-5-3-6-10-17)19-20-16(2)14-18-11-7-4-8-12-18/h15-16H,3-14H2,1-2H3
InChI Key:
BWDJDIXFZROUAO-UHFFFAOYSA-N
SMILES:
CC(N1CCCCC1)CSSCC(N1CCCCC1)C.Cl.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.201g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.566g/mol
Monoisotopic Mass:
316.201g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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