Home Other Building Blocks 4-{[2-(piperidin-1-yl)ethyl]sulfanyl}aniline

4-{[2-(piperidin-1-yl)ethyl]sulfanyl}aniline

CAS No.:
1095603-02-3
Catalog Number:
AG01ALES
Molecular Formula:
C13H20N2S
Molecular Weight:
236.3763
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Product Description
Catalog Number:
AG01ALES
Chemical Name:
4-{[2-(piperidin-1-yl)ethyl]sulfanyl}aniline
CAS Number:
1095603-02-3
Molecular Formula:
C13H20N2S
Molecular Weight:
236.3763
MDL Number:
MFCD11635200
IUPAC Name:
4-(2-piperidin-1-ylethylsulfanyl)aniline
InChI:
InChI=1S/C13H20N2S/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2
InChI Key:
RYZNODQGFOSTBY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)SCCN1CCCCC1
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.135g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.377g/mol
Monoisotopic Mass:
236.135g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties