Home Halogens [2-(3-bromophenoxy)ethyl](thiolan-2-ylmethyl)amine hydrochloride

[2-(3-bromophenoxy)ethyl](thiolan-2-ylmethyl)amine hydrochloride

CAS No.:
1797752-35-2
Catalog Number:
AG01BCVH
Molecular Formula:
C13H19BrClNOS
Molecular Weight:
352.7181
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Product Description
Catalog Number:
AG01BCVH
Chemical Name:
[2-(3-bromophenoxy)ethyl](thiolan-2-ylmethyl)amine hydrochloride
CAS Number:
1797752-35-2
Molecular Formula:
C13H19BrClNOS
Molecular Weight:
352.7181
MDL Number:
MFCD28012325
IUPAC Name:
2-(3-bromophenoxy)-N-(thiolan-2-ylmethyl)ethanamine;hydrochloride
InChI:
InChI=1S/C13H18BrNOS.ClH/c14-11-3-1-4-12(9-11)16-7-6-15-10-13-5-2-8-17-13;/h1,3-4,9,13,15H,2,5-8,10H2;1H
InChI Key:
NXPNQSZBZKHUIS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCCNCC1CCCS1.Cl
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.006g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
352.715g/mol
Monoisotopic Mass:
351.006g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties